6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

C14H22N6 — CID 80857269

IUPAC6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-n2nc(C)nc2C)c1C(C)C
InChIInChI=1S/C14H22N6/c1-6-7-15-13-12(9(2)3)14(17-8-16-13)20-11(5)18-10(4)19-20/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyDDZWKGPIRLZLBY-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.62
Rot. Bonds5

About 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80857269) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80857269
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-n2nc(C)nc2C)c1C(C)C
InChIInChI=1S/C14H22N6/c1-6-7-15-13-12(9(2)3)14(17-8-16-13)20-11(5)18-10(4)19-20/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyDDZWKGPIRLZLBY-UHFFFAOYSA-N
XLogP2.62
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80857697
6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80749906
6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80857417
6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80855091
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 102807888
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 80857269) is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(-n2nc(C)nc2C)c1C(C)C.
What is the InChIKey of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is DDZWKGPIRLZLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-6-7-15-13-12(9(2)3)14(17-8-16-13)20-11(5)18-10(4)19-20/h8-9H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80857269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).