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

C16H18ClN3 — CID 62190524

IUPAC2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2Cl)nc2c1CCC2
InChIInChI=1S/C16H18ClN3/c1-2-18-16-12-7-5-9-14(12)19-15(20-16)10-11-6-3-4-8-13(11)17/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,18,19,20)
InChIKeyBGZGGQBQBWJZFS-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.64
Rot. Bonds4

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

2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62190524) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62190524
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2Cl)nc2c1CCC2
InChIInChI=1S/C16H18ClN3/c1-2-18-16-12-7-5-9-14(12)19-15(20-16)10-11-6-3-4-8-13(11)17/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,18,19,20)
InChIKeyBGZGGQBQBWJZFS-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62190524) is 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCNc1nc(Cc2ccccc2Cl)nc2c1CCC2.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BGZGGQBQBWJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-2-18-16-12-7-5-9-14(12)19-15(20-16)10-11-6-3-4-8-13(11)17/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,18,19,20).
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62190524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).