5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

C15H15N5O2S — CID 141335863

IUPAC5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cn[nH]c2)nc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H15N5O2S/c1-10-7-16-15(19-12-8-17-18-9-12)20-14(10)11-4-3-5-13(6-11)23(2,21)22/h3-9H,1-2H3,(H,17,18)(H,16,19,20)
InChIKeyWXGYSASXZYBCBS-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.32
Rot. Bonds4

About 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 141335863) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID141335863
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cn[nH]c2)nc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H15N5O2S/c1-10-7-16-15(19-12-8-17-18-9-12)20-14(10)11-4-3-5-13(6-11)23(2,21)22/h3-9H,1-2H3,(H,17,18)(H,16,19,20)
InChIKeyWXGYSASXZYBCBS-UHFFFAOYSA-N
XLogP2.32
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol
CID 141335854
4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141335906
2-[4-[[5-methyl-4-(3-methylsulfonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butanamide
CID 123234997
N-(3-iodo-5-methoxyphenyl)-4-(3-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 118930351
N-tert-butyl-3-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide
CID 164848637
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
4-[5-methyl-2-(3-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
CID 22713596
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
4-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoic acid
CID 151311084
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
3-[[5-methyl-4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 59279658
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 141335863) is 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is Cc1cnc(Nc2cn[nH]c2)nc1-c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is WXGYSASXZYBCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10-7-16-15(19-12-8-17-18-9-12)20-14(10)11-4-3-5-13(6-11)23(2,21)22/h3-9H,1-2H3,(H,17,18)(H,16,19,20).
What are the key properties of 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 329.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 141335863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).