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

C23H23N5O — CID 161268005

IUPAC2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCCOc1ccccc1CNc1ncc2c(Nc3ccc(C)cc3)nccc2n1
InChIInChI=1S/C23H23N5O/c1-3-29-21-7-5-4-6-17(21)14-25-23-26-15-19-20(28-23)12-13-24-22(19)27-18-10-8-16(2)9-11-18/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyVDLBZZAQLZTEGH-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.09
Rot. Bonds7

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

2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 161268005) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID161268005
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCCOc1ccccc1CNc1ncc2c(Nc3ccc(C)cc3)nccc2n1
InChIInChI=1S/C23H23N5O/c1-3-29-21-7-5-4-6-17(21)14-25-23-26-15-19-20(28-23)12-13-24-22(19)27-18-10-8-16(2)9-11-18/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyVDLBZZAQLZTEGH-UHFFFAOYSA-N
XLogP5.09
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 70880958
2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 70880910
N-[(2-ethoxyphenyl)methyl]-2-methylquinazolin-4-amine
CID 68649031
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
N-(4-methylphenyl)isoquinolin-1-amine;dihydrate
CID 51057775
N-[(2-ethoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133468436
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-N-(4-ethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892199
N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231044
N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746372

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (CID 161268005) is 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is CCOc1ccccc1CNc1ncc2c(Nc3ccc(C)cc3)nccc2n1.
What is the InChIKey of 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is VDLBZZAQLZTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-29-21-7-5-4-6-17(21)14-25-23-26-15-19-20(28-23)12-13-24-22(19)27-18-10-8-16(2)9-11-18/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 385.47 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-ethoxyphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 161268005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).