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

C15H21N5S — CID 124978971

IUPAC4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCNC2)n1
InChIInChI=1S/C15H21N5S/c1-9-7-13(20-15-18-10(2)11(3)21-15)19-14(17-9)12-5-4-6-16-8-12/h7,12,16H,4-6,8H2,1-3H3,(H,17,18,19,20)/t12-/m0/s1
InChIKeyLXSSCXSZPXLILS-LBPRGKRZSA-N
MW303.44 g/mol
LogP3.07
Rot. Bonds3

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

4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 124978971) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID124978971
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCNC2)n1
InChIInChI=1S/C15H21N5S/c1-9-7-13(20-15-18-10(2)11(3)21-15)19-14(17-9)12-5-4-6-16-8-12/h7,12,16H,4-6,8H2,1-3H3,(H,17,18,19,20)/t12-/m0/s1
InChIKeyLXSSCXSZPXLILS-LBPRGKRZSA-N
XLogP3.07
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110095386
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
5-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 155985242
4,5-dimethyl-N-(2-methyl-6-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 175662288
4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 110095024
6-methyl-2-[(3R)-piperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95816713
4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
CID 116893430
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 124978971) is 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCNC2)n1.
What is the InChIKey of 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is LXSSCXSZPXLILS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5S/c1-9-7-13(20-15-18-10(2)11(3)21-15)19-14(17-9)12-5-4-6-16-8-12/h7,12,16H,4-6,8H2,1-3H3,(H,17,18,19,20)/t12-/m0/s1.
What are the key properties of 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 303.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124978971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).