6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine

C9H8N2 — CID 160978630

IUPAC6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine
SMILESC1=CC(=C2C=CN=CN2)C=C1
InChIInChI=1S/C9H8N2/c1-2-4-8(3-1)9-5-6-10-7-11-9/h1-7H,(H,10,11)
InChIKeyUTMLMGSUJOKKAP-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.51
Rot. Bonds

About 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine

6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine (PubChem CID 160978630) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine.

Molecular Properties

Compound Name6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine
PubChem CID160978630
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine
SMILESC1=CC(=C2C=CN=CN2)C=C1
InChIInChI=1S/C9H8N2/c1-2-4-8(3-1)9-5-6-10-7-11-9/h1-7H,(H,10,11)
InChIKeyUTMLMGSUJOKKAP-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopenta[g]quinazoline
CID 18925113
Cyclopentaquinazoline
CID 87106084
1H-Cyclohepta[d]pyrimidine
CID 45080488
4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 57235119
4,5-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168319
4,7-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168320
(E)-4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 69536246
1-(cyclobutadienyl)-4H-imidazo[1,5-a]pyrazin-4-ium chloride
CID 87102455
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
8-Methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 90291949
1,4,7,8-Tetrahydroquinazoline
CID 91106721

Frequently Asked Questions

What is the IUPAC name of 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine?
The IUPAC name of 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine (CID 160978630) is 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine.
What is the SMILES notation for 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine?
The canonical SMILES for 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine is C1=CC(=C2C=CN=CN2)C=C1.
What is the InChIKey of 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine?
The InChIKey is UTMLMGSUJOKKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-8(3-1)9-5-6-10-7-11-9/h1-7H,(H,10,11).
What are the key properties of 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine?
6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine has a molecular weight of 144.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine is sourced from PubChem (CID 160978630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).