4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine

C7H10N2 — CID 123202775

IUPAC4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine
SMILESC1=NCC2=CCCC2N1
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-9-7(6)3-1/h2,5,7H,1,3-4H2,(H,8,9)
InChIKeyMQJSANPURZVRKJ-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.71
Rot. Bonds

About 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine

4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine (PubChem CID 123202775) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine
PubChem CID123202775
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine
SMILESC1=NCC2=CCCC2N1
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-9-7(6)3-1/h2,5,7H,1,3-4H2,(H,8,9)
InChIKeyMQJSANPURZVRKJ-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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

6-fluoro-5-methyl-3a,6,7,7a-tetrahydro-1H-benzimidazole
CID 163582524
3a,4,5,7a-Tetrahydro-1h-benzo[d]imidazole
CID 177256753
3a,4,5,6-tetrahydro-1H-benzimidazole
CID 72302635
1,4,6,7,8,8a-Hexahydroquinazoline
CID 90790990
4-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 91578376
4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine
CID 118369127
(5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine
CID 155371544
3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine
CID 170631484
1,4,6,7,8,8a-Hexahydroquinazolin-3-ium
CID 173109832

Frequently Asked Questions

What is the IUPAC name of 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine?
The IUPAC name of 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine (CID 123202775) is 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine is C1=NCC2=CCCC2N1.
What is the InChIKey of 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine?
The InChIKey is MQJSANPURZVRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-4-8-5-9-7(6)3-1/h2,5,7H,1,3-4H2,(H,8,9).
What are the key properties of 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine?
4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine has a molecular weight of 122.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,7a-tetrahydro-1H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 123202775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).