N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C10H13N3 — CID 62831874

IUPACN-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2c1CCC2
InChIInChI=1S/C10H13N3/c1-2-6-11-10-8-4-3-5-9(8)12-7-13-10/h2,7H,1,3-6H2,(H,11,12,13)
InChIKeyWIVDDYCNLVEGFN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.56
Rot. Bonds3

About N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62831874) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62831874
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2c1CCC2
InChIInChI=1S/C10H13N3/c1-2-6-11-10-8-4-3-5-9(8)12-7-13-10/h2,7H,1,3-6H2,(H,11,12,13)
InChIKeyWIVDDYCNLVEGFN-UHFFFAOYSA-N
XLogP1.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62831874) is N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is C=CCNc1ncnc2c1CCC2.
What is the InChIKey of N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is WIVDDYCNLVEGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-6-11-10-8-4-3-5-9(8)12-7-13-10/h2,7H,1,3-6H2,(H,11,12,13).
What are the key properties of N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 175.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62831874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).