4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane

C15H22N4 — CID 91476448

IUPAC4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
SMILESCC.CNc1nc(Nc2cccc(C)c2)ncc1C
InChIInChI=1S/C13H16N4.C2H6/c1-9-5-4-6-11(7-9)16-13-15-8-10(2)12(14-3)17-13;1-2/h4-8H,1-3H3,(H2,14,15,16,17);1-2H3
InChIKeyOQMAXQAMUMRRKY-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.90
Rot. Bonds3

About 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane

4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane (PubChem CID 91476448) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
PubChem CID91476448
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
SMILESCC.CNc1nc(Nc2cccc(C)c2)ncc1C
InChIInChI=1S/C13H16N4.C2H6/c1-9-5-4-6-11(7-9)16-13-15-8-10(2)12(14-3)17-13;1-2/h4-8H,1-3H3,(H2,14,15,16,17);1-2H3
InChIKeyOQMAXQAMUMRRKY-UHFFFAOYSA-N
XLogP3.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728582
3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80761291
6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 5328346
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane?
The IUPAC name of 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane (CID 91476448) is 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane is CC.CNc1nc(Nc2cccc(C)c2)ncc1C.
What is the InChIKey of 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane?
The InChIKey is OQMAXQAMUMRRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.C2H6/c1-9-5-4-6-11(7-9)16-13-15-8-10(2)12(14-3)17-13;1-2/h4-8H,1-3H3,(H2,14,15,16,17);1-2H3.
What are the key properties of 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane?
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane has a molecular weight of 258.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 91476448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).