2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

C118H179N25O2S5 — CID 160934212

IUPAC2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C1=CC(=O)CC=N1.CC(C)C1=CN=CC1.CC(C)c1cc(N)ns1.CC(C)c1cc[nH]c(=O)c1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnc(N)s1.CC(C)c1ncn[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ncn1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C9H13N.2C8H12N2.2C8H11NO.C8H11N.C7H10N2.C7H11N.3C7H10S.2C6H10N2S.2C6H10N2.2C5H9N3/c1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-4-7(3)9-5-10-8;1-6(2)8-4-5-9-7(3)10-8;1-6(2)8-5-7(10)3-4-9-8;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-3-8-6(7)9-5;1-4(2)5-3-6(7)8-9-5;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5/h4-7H,1-3H3;2*4-6H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;3-6H,1-2H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;2*3-4H,1-2H3,(H2,7,8);2*3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8)
InChIKeySTQYWSIVHBHNBF-UHFFFAOYSA-N
MW2140.24 g/mol
LogP32.44
Rot. Bonds17

About 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 160934212) has the molecular formula C118H179N25O2S5 and a molecular weight of 2140.24 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID160934212
Molecular FormulaC118H179N25O2S5
Molecular Weight2140.24 g/mol
Exact Mass2138.33
IUPAC Name2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C1=CC(=O)CC=N1.CC(C)C1=CN=CC1.CC(C)c1cc(N)ns1.CC(C)c1cc[nH]c(=O)c1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnc(N)s1.CC(C)c1ncn[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ncn1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C9H13N.2C8H12N2.2C8H11NO.C8H11N.C7H10N2.C7H11N.3C7H10S.2C6H10N2S.2C6H10N2.2C5H9N3/c1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-4-7(3)9-5-10-8;1-6(2)8-4-5-9-7(3)10-8;1-6(2)8-5-7(10)3-4-9-8;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-3-8-6(7)9-5;1-4(2)5-3-6(7)8-9-5;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5/h4-7H,1-3H3;2*4-6H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;3-6H,1-2H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;2*3-4H,1-2H3,(H2,7,8);2*3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8)
InChIKeySTQYWSIVHBHNBF-UHFFFAOYSA-N
XLogP32.44
TPSA396.09 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002140.24
LogP ≤ 532.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (CID 160934212) is 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)C1=CC(=O)CC=N1.CC(C)C1=CN=CC1.CC(C)c1cc(N)ns1.CC(C)c1cc[nH]c(=O)c1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnc(N)s1.CC(C)c1ncn[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ncn1.Cc1nccc(C(C)C)n1.
What is the InChIKey of 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is STQYWSIVHBHNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C8H12N2.2C8H11NO.C8H11N.C7H10N2.C7H11N.3C7H10S.2C6H10N2S.2C6H10N2.2C5H9N3/c1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-4-7(3)9-5-10-8;1-6(2)8-4-5-9-7(3)10-8;1-6(2)8-5-7(10)3-4-9-8;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-3-8-6(7)9-5;1-4(2)5-3-6(7)8-9-5;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5/h4-7H,1-3H3;2*4-6H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;3-6H,1-2H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;2*3-4H,1-2H3,(H2,7,8);2*3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8).
What are the key properties of 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 2140.24 g/mol, XLogP of 32.44, 17 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 160934212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).