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

C18H23N3 — CID 63486449

IUPAC2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(CC)cc2)nc2c1CCC2
InChIInChI=1S/C18H23N3/c1-3-12-19-18-15-6-5-7-16(15)20-17(21-18)14-10-8-13(4-2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,19,20,21)
InChIKeyDWWUUXTUIFTVCU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.02
Rot. Bonds5

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

2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63486449) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63486449
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(CC)cc2)nc2c1CCC2
InChIInChI=1S/C18H23N3/c1-3-12-19-18-15-6-5-7-16(15)20-17(21-18)14-10-8-13(4-2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,19,20,21)
InChIKeyDWWUUXTUIFTVCU-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63486449) is 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCNc1nc(-c2ccc(CC)cc2)nc2c1CCC2.
What is the InChIKey of 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is DWWUUXTUIFTVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-12-19-18-15-6-5-7-16(15)20-17(21-18)14-10-8-13(4-2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63486449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).