7,7a-dihydro-3H-cyclopenta[d]pyrimidine

C7H8N2 — CID 91250343

IUPAC7,7a-dihydro-3H-cyclopenta[d]pyrimidine
SMILESC1=CC2=CNC=NC2C1
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h1-2,4-5,7H,3H2,(H,8,9)
InChIKeySVAFKVJJBYPXQK-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.83
Rot. Bonds

About 7,7a-dihydro-3H-cyclopenta[d]pyrimidine

7,7a-dihydro-3H-cyclopenta[d]pyrimidine (PubChem CID 91250343) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 7,7a-dihydro-3H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name7,7a-dihydro-3H-cyclopenta[d]pyrimidine
PubChem CID91250343
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name7,7a-dihydro-3H-cyclopenta[d]pyrimidine
SMILESC1=CC2=CNC=NC2C1
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h1-2,4-5,7H,3H2,(H,8,9)
InChIKeySVAFKVJJBYPXQK-UHFFFAOYSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Benzodiazepine
CID 23291061
Cyclopentaquinazoline
CID 87106084
4,5-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168319
4,7-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168320
3,7,8,8a-Tetrahydroquinazoline
CID 91192785
3,8a-Dihydroquinazoline
CID 91312252
4-(2,5-Dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine
CID 123294210
5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
CID 123831511
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,4-dihydropyrimidine
CID 124198945
6-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309133
3,8a-Dihydroquinazolin-3-ium;ethane
CID 142336221
4-ethenyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 156099114

Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-3H-cyclopenta[d]pyrimidine?
The IUPAC name of 7,7a-dihydro-3H-cyclopenta[d]pyrimidine (CID 91250343) is 7,7a-dihydro-3H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 7,7a-dihydro-3H-cyclopenta[d]pyrimidine?
The canonical SMILES for 7,7a-dihydro-3H-cyclopenta[d]pyrimidine is C1=CC2=CNC=NC2C1.
What is the InChIKey of 7,7a-dihydro-3H-cyclopenta[d]pyrimidine?
The InChIKey is SVAFKVJJBYPXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h1-2,4-5,7H,3H2,(H,8,9).
What are the key properties of 7,7a-dihydro-3H-cyclopenta[d]pyrimidine?
7,7a-dihydro-3H-cyclopenta[d]pyrimidine has a molecular weight of 120.15 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-3H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 91250343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).