5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine

C11H13N5O2S — CID 141275069

IUPAC5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(S(C)(=O)=O)nc2)nc1N
InChIInChI=1S/C11H13N5O2S/c1-7-5-14-11(16-10(7)12)15-8-3-4-9(13-6-8)19(2,17)18/h3-6H,1-2H3,(H3,12,14,15,16)
InChIKeyDHZIKOHNTLRJGR-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.91
Rot. Bonds3

About 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine

5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 141275069) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine
PubChem CID141275069
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(S(C)(=O)=O)nc2)nc1N
InChIInChI=1S/C11H13N5O2S/c1-7-5-14-11(16-10(7)12)15-8-3-4-9(13-6-8)19(2,17)18/h3-6H,1-2H3,(H3,12,14,15,16)
InChIKeyDHZIKOHNTLRJGR-UHFFFAOYSA-N
XLogP0.91
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 86679830
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 141275118
1-[4-[4-[(4-amino-5-methylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 141476497
4-amino-2-(3-fluoro-4-methylsulfonylanilino)pyrimidine-5-carboxylic acid
CID 167516948
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 167517003
2-N-(3-fluoro-4-methylsulfonylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 167516675
2-N-(3-fluoro-4-methylsulfonylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-2,4-diamine
CID 167517434
5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 69083953
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
N-butan-2-yl-6-methylsulfonylpyridin-3-amine
CID 43675267
5-[(4-anilino-5-bromopyrimidin-2-yl)amino]pyridine-2-sulfonamide
CID 58981904

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine (CID 141275069) is 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(S(C)(=O)=O)nc2)nc1N.
What is the InChIKey of 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is DHZIKOHNTLRJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-7-5-14-11(16-10(7)12)15-8-3-4-9(13-6-8)19(2,17)18/h3-6H,1-2H3,(H3,12,14,15,16).
What are the key properties of 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine?
5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 279.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141275069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).