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

C16H18ClN3 — CID 63486615

IUPAC2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2Cl)nc2c1CCC2
InChIInChI=1S/C16H18ClN3/c1-2-10-18-15-12-7-5-9-14(12)19-16(20-15)11-6-3-4-8-13(11)17/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,18,19,20)
InChIKeyUTNDDSJKQGAETP-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.11
Rot. Bonds4

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

2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63486615) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63486615
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2Cl)nc2c1CCC2
InChIInChI=1S/C16H18ClN3/c1-2-10-18-15-12-7-5-9-14(12)19-16(20-15)11-6-3-4-8-13(11)17/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,18,19,20)
InChIKeyUTNDDSJKQGAETP-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191758
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480
2-(3-bromo-4-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115568197
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486449
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
2-(5-methyl-2-pyridinyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 81311695
N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192826
2-(2-methylcyclopropyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65421960
2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190684
2-(2,5-dimethylphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62203197
N-[2-(2-chlorophenyl)ethyl]-2-ethylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 70084158

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63486615) is 2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCNc1nc(-c2ccccc2Cl)nc2c1CCC2.
What is the InChIKey of 2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UTNDDSJKQGAETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-2-10-18-15-12-7-5-9-14(12)19-16(20-15)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)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63486615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).