2-cyclopropyl-4-ethynyl-6-methylpyrimidine

C10H10N2 — CID 122241570

IUPAC2-cyclopropyl-4-ethynyl-6-methylpyrimidine
SMILESC#Cc1cc(C)nc(C2CC2)n1
InChIInChI=1S/C10H10N2/c1-3-9-6-7(2)11-10(12-9)8-4-5-8/h1,6,8H,4-5H2,2H3
InChIKeyJLOJHXBESVZSQZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.64
Rot. Bonds1

About 2-cyclopropyl-4-ethynyl-6-methylpyrimidine

2-cyclopropyl-4-ethynyl-6-methylpyrimidine (PubChem CID 122241570) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethynyl-6-methylpyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-ethynyl-6-methylpyrimidine
PubChem CID122241570
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2-cyclopropyl-4-ethynyl-6-methylpyrimidine
SMILESC#Cc1cc(C)nc(C2CC2)n1
InChIInChI=1S/C10H10N2/c1-3-9-6-7(2)11-10(12-9)8-4-5-8/h1,6,8H,4-5H2,2H3
InChIKeyJLOJHXBESVZSQZ-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
4-bromo-2-cyclopropyl-6-methylpyrimidine
CID 112554798
6-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 62192253
2-cyclopropyl-6-methyl-N-phenylpyrimidin-4-amine
CID 163350504
6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65400159
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
2-[3-(difluoromethyl)pyrrolidin-1-yl]-4-ethynyl-6-methylpyrimidine
CID 169266309
[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65390143
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 65400374
[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65414644
3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893628

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethynyl-6-methylpyrimidine?
The IUPAC name of 2-cyclopropyl-4-ethynyl-6-methylpyrimidine (CID 122241570) is 2-cyclopropyl-4-ethynyl-6-methylpyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-ethynyl-6-methylpyrimidine?
The canonical SMILES for 2-cyclopropyl-4-ethynyl-6-methylpyrimidine is C#Cc1cc(C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-ethynyl-6-methylpyrimidine?
The InChIKey is JLOJHXBESVZSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-3-9-6-7(2)11-10(12-9)8-4-5-8/h1,6,8H,4-5H2,2H3.
What are the key properties of 2-cyclopropyl-4-ethynyl-6-methylpyrimidine?
2-cyclopropyl-4-ethynyl-6-methylpyrimidine has a molecular weight of 158.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethynyl-6-methylpyrimidine is sourced from PubChem (CID 122241570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).