2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H17Cl2N3 — CID 63484670

IUPAC2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccc(Cl)cc2Cl)nc2c1CCC2
InChIInChI=1S/C16H17Cl2N3/c1-2-19-16-12-4-3-5-14(12)20-15(21-16)8-10-6-7-11(17)9-13(10)18/h6-7,9H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyKDNPPDJDTONNEP-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.29
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63484670) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63484670
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccc(Cl)cc2Cl)nc2c1CCC2
InChIInChI=1S/C16H17Cl2N3/c1-2-19-16-12-4-3-5-14(12)20-15(21-16)8-10-6-7-11(17)9-13(10)18/h6-7,9H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyKDNPPDJDTONNEP-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-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-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63484670) is 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCNc1nc(Cc2ccc(Cl)cc2Cl)nc2c1CCC2.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is KDNPPDJDTONNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-2-19-16-12-4-3-5-14(12)20-15(21-16)8-10-6-7-11(17)9-13(10)18/h6-7,9H,2-5,8H2,1H3,(H,19,20,21).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 322.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63484670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).