5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine

C17H21ClN4O2S — CID 67509209

IUPAC5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine
SMILESCc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl
InChIInChI=1S/C17H21ClN4O2S/c1-12-4-3-7-19-15(12)16-14(18)10-20-17(21-16)22-8-5-13(6-9-22)11-25(2,23)24/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3
InChIKeyCZYJPPYNWBXBIS-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.76
Rot. Bonds4

About 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine

5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine (PubChem CID 67509209) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine
PubChem CID67509209
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine
SMILESCc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl
InChIInChI=1S/C17H21ClN4O2S/c1-12-4-3-7-19-15(12)16-14(18)10-20-17(21-16)22-8-5-13(6-9-22)11-25(2,23)24/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3
InChIKeyCZYJPPYNWBXBIS-UHFFFAOYSA-N
XLogP2.76
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-phenyl)-pyrazin-2-yl]-thiomorpholine 1,1-dioxide
CID 24857902
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(3-pyridinyl)pyrimidine
CID 1471755
5-chloro-N,6-dimethyl-N-phenethyl-2-(pyridin-2-yl)pyrimidin-4-amine
CID 12004233
1-(5-Chloropyrimidin-2-yl)-1''-(4-(methylsulfonyl)phenyl)-4,4''-bipiperidine
CID 54580747
1-(4-(5'-Chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one
CID 56956240
N-[(1R)-2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-1-phenylethyl]-2-piperazin-1-ylethanesulfonamide
CID 68347135
4-N-[5-chloro-4-[6-[(1,1-dioxothian-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 58127444
(R)-5-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopropylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 130304943
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(4-pyridinyl)pyrimidine
CID 1475402
5-[(4-Chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine
CID 56662291
5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 44591369
4-(4-chlorophenyl)-N-(1-(methylsulfonyl)piperidin-4-yl)pyrimidin-2-amine
CID 54581026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine (CID 67509209) is 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine is Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine?
The InChIKey is CZYJPPYNWBXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-12-4-3-7-19-15(12)16-14(18)10-20-17(21-16)22-8-5-13(6-9-22)11-25(2,23)24/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3.
What are the key properties of 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine?
5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine has a molecular weight of 380.90 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 67509209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).