4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

C26H25N5 — CID 146212994

IUPAC4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(Nc3c(C)cc(/C=C/c4cccnc4)cc3C)n2)cc1
InChIInChI=1S/C26H25N5/c1-18-6-10-23(11-7-18)29-26-28-14-12-24(31-26)30-25-19(2)15-22(16-20(25)3)9-8-21-5-4-13-27-17-21/h4-17H,1-3H3,(H2,28,29,30,31)/b9-8+
InChIKeyVKYVEDDYZZFJAS-CMDGGOBGSA-N
MW407.52 g/mol
LogP6.45
Rot. Bonds6

About 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 146212994) has the molecular formula C26H25N5 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID146212994
Molecular FormulaC26H25N5
Molecular Weight407.52 g/mol
Exact Mass407.21
IUPAC Name4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(Nc3c(C)cc(/C=C/c4cccnc4)cc3C)n2)cc1
InChIInChI=1S/C26H25N5/c1-18-6-10-23(11-7-18)29-26-28-14-12-24(31-26)30-25-19(2)15-22(16-20(25)3)9-8-21-5-4-13-27-17-21/h4-17H,1-3H3,(H2,28,29,30,31)/b9-8+
InChIKeyVKYVEDDYZZFJAS-CMDGGOBGSA-N
XLogP6.45
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2,6-dimethyl-N-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]aniline
CID 101168271
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile;hydron
CID 70678951
2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine
CID 88967228
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002
4-[[4-[4-(2-iminoethenyl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
CID 176542646
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzamide
CID 129011928
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]-3,5-dideuteriobenzonitrile
CID 53372848
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902014
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-[[4-(4-iodo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile
CID 58719821
N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
CID 10221937

Frequently Asked Questions

What is the IUPAC name of 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 146212994) is 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(Nc3c(C)cc(/C=C/c4cccnc4)cc3C)n2)cc1.
What is the InChIKey of 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is VKYVEDDYZZFJAS-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H25N5/c1-18-6-10-23(11-7-18)29-26-28-14-12-24(31-26)30-25-19(2)15-22(16-20(25)3)9-8-21-5-4-13-27-17-21/h4-17H,1-3H3,(H2,28,29,30,31)/b9-8+.
What are the key properties of 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 407.52 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 146212994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).