4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

C16H23N5S — CID 110095386

IUPAC4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)c(C)s2)nc(C2CCCN(C)C2)n1
InChIInChI=1S/C16H23N5S/c1-10-8-14(20-16-18-11(2)12(3)22-16)19-15(17-10)13-6-5-7-21(4)9-13/h8,13H,5-7,9H2,1-4H3,(H,17,18,19,20)
InChIKeyHAKSHNVEUZPTND-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.41
Rot. Bonds3

About 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 110095386) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID110095386
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)c(C)s2)nc(C2CCCN(C)C2)n1
InChIInChI=1S/C16H23N5S/c1-10-8-14(20-16-18-11(2)12(3)22-16)19-15(17-10)13-6-5-7-21(4)9-13/h8,13H,5-7,9H2,1-4H3,(H,17,18,19,20)
InChIKeyHAKSHNVEUZPTND-UHFFFAOYSA-N
XLogP3.41
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124978971
6-methyl-2-[(3R)-1-methylpiperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820185
4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100437
1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 155985320
4-methyl-6-(1-methylpiperidin-3-yl)-2-pyrrolidin-3-ylpyrimidine
CID 116893403
6-methyl-2-(1-methylpiperidin-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 110257270
[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol
CID 110257482
2-amino-1-[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 124966798
4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987825
4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(3R)-1-methylpiperidin-3-yl]pyrimidine
CID 124997329
N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820358
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 110095386) is 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cc(Nc2nc(C)c(C)s2)nc(C2CCCN(C)C2)n1.
What is the InChIKey of 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is HAKSHNVEUZPTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-10-8-14(20-16-18-11(2)12(3)22-16)19-15(17-10)13-6-5-7-21(4)9-13/h8,13H,5-7,9H2,1-4H3,(H,17,18,19,20).
What are the key properties of 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 317.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110095386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).