2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine

C7H10N2 — CID 91124109

IUPAC2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine
SMILESC1=CC2C=NCNC2C1
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-9-7(6)3-1/h1-2,4,6-7,9H,3,5H2
InChIKeyUMPGZOYEGXXDNL-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.56
Rot. Bonds

About 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine

2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine (PubChem CID 91124109) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine
PubChem CID91124109
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine
SMILESC1=CC2C=NCNC2C1
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-9-7(6)3-1/h1-2,4,6-7,9H,3,5H2
InChIKeyUMPGZOYEGXXDNL-UHFFFAOYSA-N
XLogP0.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4a,9,9a-tetrahydro-1H-cyclohepta[d]pyrimidine
CID 68276517
1,2,4a,7,8,8a-Hexahydroquinazoline
CID 90880991
1,2,4a,5,8,8a-Hexahydroquinazoline
CID 91186058

Frequently Asked Questions

What is the IUPAC name of 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine (CID 91124109) is 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine is C1=CC2C=NCNC2C1.
What is the InChIKey of 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine?
The InChIKey is UMPGZOYEGXXDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-4-8-5-9-7(6)3-1/h1-2,4,6-7,9H,3,5H2.
What are the key properties of 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine?
2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine has a molecular weight of 122.17 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 91124109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).