2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine

C11H12N2 — CID 102480724

IUPAC2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(C2C=CC=C2)n1
InChIInChI=1S/C11H12N2/c1-8-7-9(2)13-11(12-8)10-5-3-4-6-10/h3-7,10H,1-2H3
InChIKeyRXQQZUCYUMQCKH-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.30
Rot. Bonds1

About 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine

2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine (PubChem CID 102480724) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine
PubChem CID102480724
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(C2C=CC=C2)n1
InChIInChI=1S/C11H12N2/c1-8-7-9(2)13-11(12-8)10-5-3-4-6-10/h3-7,10H,1-2H3
InChIKeyRXQQZUCYUMQCKH-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
2-Chloro-4,6-dimethylpyrimidine
CID 20550
2-Fluoro-4,6-dimethylpyrimidine
CID 15738775
4-Methyl-pentan-2-one O-(4,6-dimethyl-pyrimidin-2-yl)-oxime
CID 5417820
Butan-2-one O-(4,6-dimethyl-pyrimidin-2-yl)-oxime
CID 5421395
(4,6-Dimethylpyrimidin-2-yl)cyanamide
CID 521618
N,N-diethyl-4,6-dimethylpyrimidin-2-amine
CID 4181181
2-Pyrimidineacetamide, 4,6-dimethylthio-
CID 3038303
2-Iodo-4,6-dimethylpyrimidine
CID 11436236
2-(Chloromethyl)-4,6-dimethylpyrimidine
CID 12682962
2-Bromo-4,6-dimethylpyrimidine
CID 12758425
2-Ethynyl-4,6-dimethylpyrimidine
CID 13081754

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine (CID 102480724) is 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine is Cc1cc(C)nc(C2C=CC=C2)n1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine?
The InChIKey is RXQQZUCYUMQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-7-9(2)13-11(12-8)10-5-3-4-6-10/h3-7,10H,1-2H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine?
2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine has a molecular weight of 172.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine is sourced from PubChem (CID 102480724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).