2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine

C25H23N5O — CID 175018724

IUPAC2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(Nc3ccc(C=Cc4ccccn4)cc3)n2)cc1
InChIInChI=1S/C25H23N5O/c1-31-23-13-8-20(9-14-23)18-28-25-27-17-15-24(30-25)29-22-11-6-19(7-12-22)5-10-21-4-2-3-16-26-21/h2-17H,18H2,1H3,(H2,27,28,29,30)
InChIKeyMXPSYGGZMSFJNL-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.41
Rot. Bonds8

About 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine

2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 175018724) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine
PubChem CID175018724
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(Nc3ccc(C=Cc4ccccn4)cc3)n2)cc1
InChIInChI=1S/C25H23N5O/c1-31-23-13-8-20(9-14-23)18-28-25-27-17-15-24(30-25)29-22-11-6-19(7-12-22)5-10-21-4-2-3-16-26-21/h2-17H,18H2,1H3,(H2,27,28,29,30)
InChIKeyMXPSYGGZMSFJNL-UHFFFAOYSA-N
XLogP5.41
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589
2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112892604
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
4-N-(3-bromo-4-methylphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892590
4-N-(2-ethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892594
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
4-N-(4-ethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892306
4-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112892516
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine (CID 175018724) is 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine is COc1ccc(CNc2nccc(Nc3ccc(C=Cc4ccccn4)cc3)n2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is MXPSYGGZMSFJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-31-23-13-8-20(9-14-23)18-28-25-27-17-15-24(30-25)29-22-11-6-19(7-12-22)5-10-21-4-2-3-16-26-21/h2-17H,18H2,1H3,(H2,27,28,29,30).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine?
2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 409.49 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 175018724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).