6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C15H16N6O — CID 511805

IUPAC6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cccc(NCc2cnc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
InChIKeyHGIQAONNGREZAK-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.81
Rot. Bonds4

About 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 511805) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID511805
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cccc(NCc2cnc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
InChIKeyHGIQAONNGREZAK-UHFFFAOYSA-N
XLogP1.81
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 511805) is 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is COc1cccc(NCc2cnc3nc(N)nc(N)c3c2)c1.
What is the InChIKey of 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HGIQAONNGREZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21).
What are the key properties of 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 296.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 511805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).