3,4-dihydro-2H-cyclopenta[d]pyrimidine

C7H8N2 — CID 57213409

IUPAC3,4-dihydro-2H-cyclopenta[d]pyrimidine
SMILESC1=CC2=NCNCC2=C1
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h1-3,8H,4-5H2
InChIKeyYEXUONUYWNEIAJ-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.48
Rot. Bonds

About 3,4-dihydro-2H-cyclopenta[d]pyrimidine

3,4-dihydro-2H-cyclopenta[d]pyrimidine (PubChem CID 57213409) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3,4-dihydro-2H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name3,4-dihydro-2H-cyclopenta[d]pyrimidine
PubChem CID57213409
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3,4-dihydro-2H-cyclopenta[d]pyrimidine
SMILESC1=CC2=NCNCC2=C1
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h1-3,8H,4-5H2
InChIKeyYEXUONUYWNEIAJ-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole and spiropiperidine
CID 129819653
2,7a-dihydro-1H-cyclopenta[d]pyrimidine
CID 21891858
2,4-dihydro-1H-benzimidazole
CID 58266090
2,7a-dihydro-1H-benzimidazole
CID 58625633
2,7a-dihydro-1H-benzimidazol-5-amine
CID 68160569
3-Cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine
CID 88985554
1-(2H-indol-3-yl)-N-methylethanamine
CID 91008686
2,3,4,6-Tetrahydroquinazoline
CID 91048304
2,3,3a,5-Tetrahydropyrrolo[3,2-f]benzimidazole
CID 136448644
2-methyl-2,7a-dihydro-1H-benzimidazole
CID 139324229
2-ethyl-2,7a-dihydro-1H-benzimidazole
CID 144476583
Spiro[indole-2,2'-pyrrolidine]
CID 164066991

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-cyclopenta[d]pyrimidine?
The IUPAC name of 3,4-dihydro-2H-cyclopenta[d]pyrimidine (CID 57213409) is 3,4-dihydro-2H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 3,4-dihydro-2H-cyclopenta[d]pyrimidine?
The canonical SMILES for 3,4-dihydro-2H-cyclopenta[d]pyrimidine is C1=CC2=NCNCC2=C1.
What is the InChIKey of 3,4-dihydro-2H-cyclopenta[d]pyrimidine?
The InChIKey is YEXUONUYWNEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h1-3,8H,4-5H2.
What are the key properties of 3,4-dihydro-2H-cyclopenta[d]pyrimidine?
3,4-dihydro-2H-cyclopenta[d]pyrimidine has a molecular weight of 120.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 57213409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).