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

C18H19N5O — CID 112860806

IUPAC4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C18H19N5O/c1-2-24-16-8-4-3-7-15(16)23-18-10-17(21-13-22-18)20-12-14-6-5-9-19-11-14/h3-11,13H,2,12H2,1H3,(H2,20,21,22,23)
InChIKeyCNGGASPDTVHRAQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.63
Rot. Bonds7

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

4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112860806) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112860806
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C18H19N5O/c1-2-24-16-8-4-3-7-15(16)23-18-10-17(21-13-22-18)20-12-14-6-5-9-19-11-14/h3-11,13H,2,12H2,1H3,(H2,20,21,22,23)
InChIKeyCNGGASPDTVHRAQ-UHFFFAOYSA-N
XLogP3.63
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-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-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82453638
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
1-[4-[[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112860818
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860825

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112860806) is 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is CCOc1ccccc1Nc1cc(NCc2cccnc2)ncn1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is CNGGASPDTVHRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-24-16-8-4-3-7-15(16)23-18-10-17(21-13-22-18)20-12-14-6-5-9-19-11-14/h3-11,13H,2,12H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 321.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112860806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).