4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine

C17H23N5O2S — CID 110093805

IUPAC4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc(C3CCN(S(C)(=O)=O)CC3)n2)n1
InChIInChI=1S/C17H23N5O2S/c1-12-11-13(2)19-17(18-12)21-16-6-4-5-15(20-16)14-7-9-22(10-8-14)25(3,23)24/h4-6,11,14H,7-10H2,1-3H3,(H,18,19,20,21)
InChIKeyOZGULANFIXZEPO-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.37
Rot. Bonds4

About 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine

4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110093805) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID110093805
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc(C3CCN(S(C)(=O)=O)CC3)n2)n1
InChIInChI=1S/C17H23N5O2S/c1-12-11-13(2)19-17(18-12)21-16-6-4-5-15(20-16)14-7-9-22(10-8-14)25(3,23)24/h4-6,11,14H,7-10H2,1-3H3,(H,18,19,20,21)
InChIKeyOZGULANFIXZEPO-UHFFFAOYSA-N
XLogP2.37
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110252905
4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835808
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
N-pyridin-2-yl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 110093833
N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 127244699
2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
CID 95817967
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093962
N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 155985087
N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 110094133
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155985108

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine (CID 110093805) is 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2cccc(C3CCN(S(C)(=O)=O)CC3)n2)n1.
What is the InChIKey of 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is OZGULANFIXZEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-11-13(2)19-17(18-12)21-16-6-4-5-15(20-16)14-7-9-22(10-8-14)25(3,23)24/h4-6,11,14H,7-10H2,1-3H3,(H,18,19,20,21).
What are the key properties of 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 361.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110093805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).