4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole

C15H20N4S — CID 110100437

IUPAC4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nc(C)cs2)nc(C2CCCN(C)C2)n1
InChIInChI=1S/C15H20N4S/c1-10-7-13(15-17-11(2)9-20-15)18-14(16-10)12-5-4-6-19(3)8-12/h7,9,12H,4-6,8H2,1-3H3
InChIKeyAOFHXXGJUJOWAJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.03
Rot. Bonds2

About 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole

4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole (PubChem CID 110100437) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole
PubChem CID110100437
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nc(C)cs2)nc(C2CCCN(C)C2)n1
InChIInChI=1S/C15H20N4S/c1-10-7-13(15-17-11(2)9-20-15)18-14(16-10)12-5-4-6-19(3)8-12/h7,9,12H,4-6,8H2,1-3H3
InChIKeyAOFHXXGJUJOWAJ-UHFFFAOYSA-N
XLogP3.03
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 125019578
4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(3R)-1-methylpiperidin-3-yl]pyrimidine
CID 124997329
[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol
CID 110257482
4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 124959081
4-methyl-6-(1-methylpiperidin-3-yl)-2-pyrrolidin-3-ylpyrimidine
CID 116893403
4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110095386
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
6-methyl-2-[(3R)-1-methylpiperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820185
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
CID 116894539

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole (CID 110100437) is 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole is Cc1cc(-c2nc(C)cs2)nc(C2CCCN(C)C2)n1.
What is the InChIKey of 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is AOFHXXGJUJOWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10-7-13(15-17-11(2)9-20-15)18-14(16-10)12-5-4-6-19(3)8-12/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole?
4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110100437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).