2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C23H23N5O2 — CID 16721051

IUPAC2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3cccnc3n2)cc1
InChIInChI=1S/C23H23N5O2/c1-29-18-9-5-16(6-10-18)14-25-22-20-4-3-13-24-21(20)27-23(28-22)26-15-17-7-11-19(30-2)12-8-17/h3-13H,14-15H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyGFGCEBMHHCXFNJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.27
Rot. Bonds8

About 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 16721051) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID16721051
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3cccnc3n2)cc1
InChIInChI=1S/C23H23N5O2/c1-29-18-9-5-16(6-10-18)14-25-22-20-4-3-13-24-21(20)27-23(28-22)26-15-17-7-11-19(30-2)12-8-17/h3-13H,14-15H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyGFGCEBMHHCXFNJ-UHFFFAOYSA-N
XLogP4.27
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 16721051) is 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3cccnc3n2)cc1.
What is the InChIKey of 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is GFGCEBMHHCXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-29-18-9-5-16(6-10-18)14-25-22-20-4-3-13-24-21(20)27-23(28-22)26-15-17-7-11-19(30-2)12-8-17/h3-13H,14-15H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 401.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 16721051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).