6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine

C12H14N4O2S — CID 80762676

IUPAC6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(S(C)(=O)=O)cc2)ncn1
InChIInChI=1S/C12H14N4O2S/c1-13-11-7-12(15-8-14-11)16-9-3-5-10(6-4-9)19(2,17)18/h3-8H,1-2H3,(H2,13,14,15,16)
InChIKeyAOCCHKWTPLCIDZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.67
Rot. Bonds4

About 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine (PubChem CID 80762676) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine
PubChem CID80762676
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(S(C)(=O)=O)cc2)ncn1
InChIInChI=1S/C12H14N4O2S/c1-13-11-7-12(15-8-14-11)16-9-3-5-10(6-4-9)19(2,17)18/h3-8H,1-2H3,(H2,13,14,15,16)
InChIKeyAOCCHKWTPLCIDZ-UHFFFAOYSA-N
XLogP1.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoic acid
CID 69162548
N-methyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875896
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
2,4-bis[4-[[6-(methylamino)pyrimidin-4-yl]amino]phenyl]pentan-3-one
CID 150888765
N-methyl-3-[[6-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 53330722
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
ethyl 4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 122281743
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 115265409
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine (CID 80762676) is 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine is CNc1cc(Nc2ccc(S(C)(=O)=O)cc2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine?
The InChIKey is AOCCHKWTPLCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-13-11-7-12(15-8-14-11)16-9-3-5-10(6-4-9)19(2,17)18/h3-8H,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine has a molecular weight of 278.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80762676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).