2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine

C19H27N5O2S — CID 95823853

IUPAC2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine
SMILESCc1cccc(Nc2cc([C@H]3CCCN(S(=O)(=O)C(C)C)C3)nc(C)n2)n1
InChIInChI=1S/C19H27N5O2S/c1-13(2)27(25,26)24-10-6-8-16(12-24)17-11-19(22-15(4)21-17)23-18-9-5-7-14(3)20-18/h5,7,9,11,13,16H,6,8,10,12H2,1-4H3,(H,20,21,22,23)/t16-/m0/s1
InChIKeyKHNOPHNJYLGSRO-INIZCTEOSA-N
MW389.53 g/mol
LogP3.15
Rot. Bonds5

About 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine

2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine (PubChem CID 95823853) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine
PubChem CID95823853
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine
SMILESCc1cccc(Nc2cc([C@H]3CCCN(S(=O)(=O)C(C)C)C3)nc(C)n2)n1
InChIInChI=1S/C19H27N5O2S/c1-13(2)27(25,26)24-10-6-8-16(12-24)17-11-19(22-15(4)21-17)23-18-9-5-7-14(3)20-18/h5,7,9,11,13,16H,6,8,10,12H2,1-4H3,(H,20,21,22,23)/t16-/m0/s1
InChIKeyKHNOPHNJYLGSRO-INIZCTEOSA-N
XLogP3.15
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(6-methyl-2-pyridinyl)-5-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrazin-2-amine
CID 95823846
2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95844644
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 125026546
(E)-1-[3-[2-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 132766887
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256273
2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110269928
2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
N-[6-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-yl]-4,6-dimethylpyrimidin-2-amine
CID 110256805
N-(2-methoxyethyl)-2-methyl-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-amine
CID 95825107
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 110252348

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine (CID 95823853) is 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine is Cc1cccc(Nc2cc([C@H]3CCCN(S(=O)(=O)C(C)C)C3)nc(C)n2)n1.
What is the InChIKey of 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine?
The InChIKey is KHNOPHNJYLGSRO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13(2)27(25,26)24-10-6-8-16(12-24)17-11-19(22-15(4)21-17)23-18-9-5-7-14(3)20-18/h5,7,9,11,13,16H,6,8,10,12H2,1-4H3,(H,20,21,22,23)/t16-/m0/s1.
What are the key properties of 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine?
2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine has a molecular weight of 389.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95823853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).