2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H19N3O — CID 62500115

IUPAC2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCOc1cccc(-c2nc(N)c3c(n2)CCC3)c1
InChIInChI=1S/C16H19N3O/c1-2-9-20-12-6-3-5-11(10-12)16-18-14-8-4-7-13(14)15(17)19-16/h3,5-6,10H,2,4,7-9H2,1H3,(H2,17,18,19)
InChIKeyIAJWZMFJDANRBM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.00
Rot. Bonds4

About 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62500115) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62500115
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCOc1cccc(-c2nc(N)c3c(n2)CCC3)c1
InChIInChI=1S/C16H19N3O/c1-2-9-20-12-6-3-5-11(10-12)16-18-14-8-4-7-13(14)15(17)19-16/h3,5-6,10H,2,4,7-9H2,1H3,(H2,17,18,19)
InChIKeyIAJWZMFJDANRBM-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62500115) is 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCOc1cccc(-c2nc(N)c3c(n2)CCC3)c1.
What is the InChIKey of 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is IAJWZMFJDANRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-9-20-12-6-3-5-11(10-12)16-18-14-8-4-7-13(14)15(17)19-16/h3,5-6,10H,2,4,7-9H2,1H3,(H2,17,18,19).
What are the key properties of 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62500115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).