2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine

C11H12N2O — CID 122539185

IUPAC2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine
SMILESC#Cc1cc(OC)nc(CC2CC2)n1
InChIInChI=1S/C11H12N2O/c1-3-9-7-11(14-2)13-10(12-9)6-8-4-5-8/h1,7-8H,4-6H2,2H3
InChIKeySTOZDXMIQZGLLO-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.42
Rot. Bonds3

About 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine

2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine (PubChem CID 122539185) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine
PubChem CID122539185
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine
SMILESC#Cc1cc(OC)nc(CC2CC2)n1
InChIInChI=1S/C11H12N2O/c1-3-9-7-11(14-2)13-10(12-9)6-8-4-5-8/h1,7-8H,4-6H2,2H3
InChIKeySTOZDXMIQZGLLO-UHFFFAOYSA-N
XLogP1.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
4-Methoxy-2,6-dimethylpyrimidine
CID 12387338
N,N-diethyl-4-methoxy-6-methylpyrimidin-2-amine
CID 13789821
2-(Chloromethyl)-4-methoxy-6-methylpyrimidine
CID 13165317
2,4-Dimethyl-6-ethoxypyrimidine
CID 12318269
US10358435, Example 2
CID 122539032
4-Ethynyl-6-methoxy-2-methylpyrimidine
CID 122539188
2,6-Dimethyl-4-isopropoxypyrimidine
CID 118462741
Pyrimidine, 4-ethoxy-6-methyl-2-(1-methylethyl)-
CID 155747
5-Ethynyl-4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 12151206
4-(Difluoromethoxy)-2,6-dimethylpyrimidine
CID 20652992

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine?
The IUPAC name of 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine (CID 122539185) is 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine?
The canonical SMILES for 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine is C#Cc1cc(OC)nc(CC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine?
The InChIKey is STOZDXMIQZGLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-9-7-11(14-2)13-10(12-9)6-8-4-5-8/h1,7-8H,4-6H2,2H3.
What are the key properties of 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine?
2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine has a molecular weight of 188.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-ethynyl-6-methoxypyrimidine is sourced from PubChem (CID 122539185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).