5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

C15H18ClN5O2S — CID 67508758

IUPAC5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cccnc1-c1nc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl
InChIInChI=1S/C15H18ClN5O2S/c1-11-4-3-5-17-13(11)14-12(16)10-18-15(19-14)20-6-8-21(9-7-20)24(2,22)23/h3-5,10H,6-9H2,1-2H3
InChIKeyNTXDTGYRVAZJJL-UHFFFAOYSA-N
MW367.86 g/mol
LogP1.58
Rot. Bonds3

About 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 67508758) has the molecular formula C15H18ClN5O2S and a molecular weight of 367.86 g/mol. Its IUPAC name is 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID67508758
Molecular FormulaC15H18ClN5O2S
Molecular Weight367.86 g/mol
Exact Mass367.09
IUPAC Name5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cccnc1-c1nc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl
InChIInChI=1S/C15H18ClN5O2S/c1-11-4-3-5-17-13(11)14-12(16)10-18-15(19-14)20-6-8-21(9-7-20)24(2,22)23/h3-5,10H,6-9H2,1-2H3
InChIKeyNTXDTGYRVAZJJL-UHFFFAOYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-Chloro-4-(((2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide
CID 91826086
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 118716417
5-chloro-N,6-dimethyl-N-phenethyl-2-(pyridin-2-yl)pyrimidin-4-amine
CID 12004233
5-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(pyridin-2-yl)pyrimidine
CID 1483821
4-(4-Methylpiperazin-1-yl)-6-pyridin-3-ylpyrimidin-2-amine
CID 25131555
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-5-chloropyridin-2-ylamino)-2-methylpyridin-3-YL)methanesulfonamide
CID 59548192
N-[(1R)-2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-1-phenylethyl]-2-piperazin-1-ylethanesulfonamide
CID 68347135
6-[(2-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028132
5-Chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 43811143
4-[5-[2-[6-amino-5-(4-chlorophenyl)pyrimidin-4-yl]ethynyl]-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 44423526
5-Chloro-4-methyl-6-(2-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine
CID 44591427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine (CID 67508758) is 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine is Cc1cccnc1-c1nc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is NTXDTGYRVAZJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2S/c1-11-4-3-5-17-13(11)14-12(16)10-18-15(19-14)20-6-8-21(9-7-20)24(2,22)23/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
5-chloro-4-(3-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 367.86 g/mol, XLogP of 1.58, 3 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-methylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 67508758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).