7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine

C17H15N5 — CID 46937128

IUPAC7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine
SMILESNc1ncc2cc(-c3ccccc3)c(N3CC=CC3)nc2n1
InChIInChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21)
InChIKeyQFWNOFXQNCLFBC-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.65
Rot. Bonds2

About 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine

7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine (PubChem CID 46937128) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine
PubChem CID46937128
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine
SMILESNc1ncc2cc(-c3ccccc3)c(N3CC=CC3)nc2n1
InChIInChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21)
InChIKeyQFWNOFXQNCLFBC-UHFFFAOYSA-N
XLogP2.65
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine (CID 46937128) is 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine is Nc1ncc2cc(-c3ccccc3)c(N3CC=CC3)nc2n1.
What is the InChIKey of 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is QFWNOFXQNCLFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21).
What are the key properties of 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine?
7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46937128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).