8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine

C18H20N4 — CID 70114677

IUPAC8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCC(C)=CCN1CC=Cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C18H20N4/c1-14(2)10-12-22-11-6-7-15-13-19-18(21-17(15)22)20-16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,19,20,21)
InChIKeyZXQYEFGPOUXDFJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.02
Rot. Bonds4

About 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine

8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 70114677) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID70114677
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCC(C)=CCN1CC=Cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C18H20N4/c1-14(2)10-12-22-11-6-7-15-13-19-18(21-17(15)22)20-16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,19,20,21)
InChIKeyZXQYEFGPOUXDFJ-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 70114677) is 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine is CC(C)=CCN1CC=Cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is ZXQYEFGPOUXDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14(2)10-12-22-11-6-7-15-13-19-18(21-17(15)22)20-16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 70114677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).