2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine

C15H16ClN3O2S — CID 157289200

IUPAC2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1cccc(CS(=O)(=O)C2CC2)c1
InChIInChI=1S/C15H16ClN3O2S/c1-10-8-17-15(16)19-14(10)18-12-4-2-3-11(7-12)9-22(20,21)13-5-6-13/h2-4,7-8,13H,5-6,9H2,1H3,(H,17,18,19)
InChIKeyBAPFSMVRHZKOJP-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.26
Rot. Bonds5

About 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine

2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine (PubChem CID 157289200) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine
PubChem CID157289200
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1cccc(CS(=O)(=O)C2CC2)c1
InChIInChI=1S/C15H16ClN3O2S/c1-10-8-17-15(16)19-14(10)18-12-4-2-3-11(7-12)9-22(20,21)13-5-6-13/h2-4,7-8,13H,5-6,9H2,1H3,(H,17,18,19)
InChIKeyBAPFSMVRHZKOJP-UHFFFAOYSA-N
XLogP3.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine
CID 129046624
2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine
CID 89102641
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 166067233
5-[[4-[3-[(cyclopropylsulfonylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 69263539
N-benzyl-3-[[4-[4-[(cyclopropylsulfonylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 69263619
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
1-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]phenyl]-3-propan-2-ylurea
CID 129046687
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 126777230
2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
CID 159278230
2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine (CID 157289200) is 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine is Cc1cnc(Cl)nc1Nc1cccc(CS(=O)(=O)C2CC2)c1.
What is the InChIKey of 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine?
The InChIKey is BAPFSMVRHZKOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-10-8-17-15(16)19-14(10)18-12-4-2-3-11(7-12)9-22(20,21)13-5-6-13/h2-4,7-8,13H,5-6,9H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine?
2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine has a molecular weight of 337.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 157289200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).