5-cyclohexa-1,5-dien-1-ylpyrimidine

C10H10N2 — CID 19911374

IUPAC5-cyclohexa-1,5-dien-1-ylpyrimidine
SMILESC1=CC(c2cncnc2)=CCC1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h2,4-8H,1,3H2
InChIKeyHCKSXQFDDFVRNS-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.21
Rot. Bonds1

About 5-cyclohexa-1,5-dien-1-ylpyrimidine

5-cyclohexa-1,5-dien-1-ylpyrimidine (PubChem CID 19911374) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-ylpyrimidine.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-ylpyrimidine
PubChem CID19911374
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name5-cyclohexa-1,5-dien-1-ylpyrimidine
SMILESC1=CC(c2cncnc2)=CCC1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h2,4-8H,1,3H2
InChIKeyHCKSXQFDDFVRNS-UHFFFAOYSA-N
XLogP2.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.21
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-ylpyrimidine?
The IUPAC name of 5-cyclohexa-1,5-dien-1-ylpyrimidine (CID 19911374) is 5-cyclohexa-1,5-dien-1-ylpyrimidine.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-ylpyrimidine?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-ylpyrimidine is C1=CC(c2cncnc2)=CCC1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-ylpyrimidine?
The InChIKey is HCKSXQFDDFVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h2,4-8H,1,3H2.
What are the key properties of 5-cyclohexa-1,5-dien-1-ylpyrimidine?
5-cyclohexa-1,5-dien-1-ylpyrimidine has a molecular weight of 158.20 g/mol, XLogP of 2.21, 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-ylpyrimidine is sourced from PubChem (CID 19911374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).