4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C24H23N5 — CID 112937314

IUPAC4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2cccnc2)n1
InChIInChI=1S/C24H23N5/c1-2-19-10-6-7-13-21(19)27-23-15-22(20-11-4-3-5-12-20)28-24(29-23)26-17-18-9-8-14-25-16-18/h3-16H,2,17H2,1H3,(H2,26,27,28,29)
InChIKeyWTHSACZRQCNEFO-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.46
Rot. Bonds7

About 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112937314) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112937314
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2cccnc2)n1
InChIInChI=1S/C24H23N5/c1-2-19-10-6-7-13-21(19)27-23-15-22(20-11-4-3-5-12-20)28-24(29-23)26-17-18-9-8-14-25-16-18/h3-16H,2,17H2,1H3,(H2,26,27,28,29)
InChIKeyWTHSACZRQCNEFO-UHFFFAOYSA-N
XLogP5.46
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chlorophenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937321
4-N-(2-methylpropyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112933732
2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
6-phenyl-4-N-(3-phenylpropyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937291
2-N-(2,4-dimethylphenyl)-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937247
3-[[6-phenyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112937338
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919628
4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112937448
N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine
CID 124984466
4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937305
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935189

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112937314) is 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CCc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2cccnc2)n1.
What is the InChIKey of 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is WTHSACZRQCNEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-2-19-10-6-7-13-21(19)27-23-15-22(20-11-4-3-5-12-20)28-24(29-23)26-17-18-9-8-14-25-16-18/h3-16H,2,17H2,1H3,(H2,26,27,28,29).
What are the key properties of 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 381.48 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112937314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).