4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine

C17H17N5 — CID 91646510

IUPAC4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NC3CC(c4ccccc4)C3)ncnc2n1
InChIInChI=1S/C17H17N5/c18-15-7-6-14-16(19-10-20-17(14)22-15)21-13-8-12(9-13)11-4-2-1-3-5-11/h1-7,10,12-13H,8-9H2,(H3,18,19,20,21,22)
InChIKeyGYFRDWCCOIKZQC-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.97
Rot. Bonds3

About 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 91646510) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID91646510
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NC3CC(c4ccccc4)C3)ncnc2n1
InChIInChI=1S/C17H17N5/c18-15-7-6-14-16(19-10-20-17(14)22-15)21-13-8-12(9-13)11-4-2-1-3-5-11/h1-7,10,12-13H,8-9H2,(H3,18,19,20,21,22)
InChIKeyGYFRDWCCOIKZQC-UHFFFAOYSA-N
XLogP2.97
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine (CID 91646510) is 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NC3CC(c4ccccc4)C3)ncnc2n1.
What is the InChIKey of 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is GYFRDWCCOIKZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c18-15-7-6-14-16(19-10-20-17(14)22-15)21-13-8-12(9-13)11-4-2-1-3-5-11/h1-7,10,12-13H,8-9H2,(H3,18,19,20,21,22).
What are the key properties of 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 291.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 91646510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).