5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine

C10H12N2 — CID 155155727

IUPAC5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine
SMILESC1=CC(C2C=NC=NC2)=CCC1
InChIInChI=1S/C10H12N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h2,4-6,8,10H,1,3,7H2
InChIKeyPASDPSMMOUSTDN-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds1

About 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine

5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine (PubChem CID 155155727) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine
PubChem CID155155727
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine
SMILESC1=CC(C2C=NC=NC2)=CCC1
InChIInChI=1S/C10H12N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h2,4-6,8,10H,1,3,7H2
InChIKeyPASDPSMMOUSTDN-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine (CID 155155727) is 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine is C1=CC(C2C=NC=NC2)=CCC1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine?
The InChIKey is PASDPSMMOUSTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h2,4-6,8,10H,1,3,7H2.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine?
5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine has a molecular weight of 160.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-4,5-dihydropyrimidine is sourced from PubChem (CID 155155727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).