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

C10H14ClN3O — CID 82460684

IUPAC2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCNc1nc(Cl)nc2c1CCC2
InChIInChI=1S/C10H14ClN3O/c1-15-6-5-12-9-7-3-2-4-8(7)13-10(11)14-9/h2-6H2,1H3,(H,12,13,14)
InChIKeyPNTZTUFHRIFMAW-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.68
Rot. Bonds4

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

2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 82460684) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID82460684
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCNc1nc(Cl)nc2c1CCC2
InChIInChI=1S/C10H14ClN3O/c1-15-6-5-12-9-7-3-2-4-8(7)13-10(11)14-9/h2-6H2,1H3,(H,12,13,14)
InChIKeyPNTZTUFHRIFMAW-UHFFFAOYSA-N
XLogP1.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.68
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-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 82460684) is 2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COCCNc1nc(Cl)nc2c1CCC2.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is PNTZTUFHRIFMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-6-5-12-9-7-3-2-4-8(7)13-10(11)14-9/h2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 82460684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).