2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine

C23H23N5 — CID 70880958

IUPAC2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCCc1ccccc1CNc1ncc2c(Nc3ccc(C)cc3)nccc2n1
InChIInChI=1S/C23H23N5/c1-3-17-6-4-5-7-18(17)14-25-23-26-15-20-21(28-23)12-13-24-22(20)27-19-10-8-16(2)9-11-19/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyYGYQJWCXZMUAQV-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.25
Rot. Bonds6

About 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine

2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 70880958) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID70880958
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCCc1ccccc1CNc1ncc2c(Nc3ccc(C)cc3)nccc2n1
InChIInChI=1S/C23H23N5/c1-3-17-6-4-5-7-18(17)14-25-23-26-15-20-21(28-23)12-13-24-22(20)27-19-10-8-16(2)9-11-19/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyYGYQJWCXZMUAQV-UHFFFAOYSA-N
XLogP5.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 161268005
2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 70880910
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine
CID 64693238
N-(4-methylphenyl)isoquinolin-1-amine;dihydrate
CID 51057775
2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181251
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
N-[(2-ethylphenyl)methyl]-5-methylpyridin-2-amine
CID 64695713
N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204340
4-N-(2-ethylphenyl)-6-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482682
N-phenylisoquinolin-1-amine
CID 613037
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (CID 70880958) is 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is CCc1ccccc1CNc1ncc2c(Nc3ccc(C)cc3)nccc2n1.
What is the InChIKey of 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is YGYQJWCXZMUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-3-17-6-4-5-7-18(17)14-25-23-26-15-20-21(28-23)12-13-24-22(20)27-19-10-8-16(2)9-11-19/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 369.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 70880958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).