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

C13H19N3O — CID 53192894

IUPAC2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCNc1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C13H19N3O/c1-17-8-7-14-13-10-3-2-4-11(10)15-12(16-13)9-5-6-9/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyWJHBWAKXBIKCHS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds5

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

2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 53192894) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID53192894
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCNc1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C13H19N3O/c1-17-8-7-14-13-10-3-2-4-11(10)15-12(16-13)9-5-6-9/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyWJHBWAKXBIKCHS-UHFFFAOYSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 53192894) is 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COCCNc1nc(C2CC2)nc2c1CCC2.
What is the InChIKey of 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is WJHBWAKXBIKCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-8-7-14-13-10-3-2-4-11(10)15-12(16-13)9-5-6-9/h9H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 53192894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).