2-(methoxymethyl)-4-propan-2-ylpyrimidine

C9H14N2O — CID 20605573

IUPAC2-(methoxymethyl)-4-propan-2-ylpyrimidine
SMILESCOCc1nccc(C(C)C)n1
InChIInChI=1S/C9H14N2O/c1-7(2)8-4-5-10-9(11-8)6-12-3/h4-5,7H,6H2,1-3H3
InChIKeyKCQSJRNLNZLBFJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds3

About 2-(methoxymethyl)-4-propan-2-ylpyrimidine

2-(methoxymethyl)-4-propan-2-ylpyrimidine (PubChem CID 20605573) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-propan-2-ylpyrimidine
PubChem CID20605573
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(methoxymethyl)-4-propan-2-ylpyrimidine
SMILESCOCc1nccc(C(C)C)n1
InChIInChI=1S/C9H14N2O/c1-7(2)8-4-5-10-9(11-8)6-12-3/h4-5,7H,6H2,1-3H3
InChIKeyKCQSJRNLNZLBFJ-UHFFFAOYSA-N
XLogP1.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-propan-2-ylpyrimidine (CID 20605573) is 2-(methoxymethyl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-propan-2-ylpyrimidine is COCc1nccc(C(C)C)n1.
What is the InChIKey of 2-(methoxymethyl)-4-propan-2-ylpyrimidine?
The InChIKey is KCQSJRNLNZLBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)8-4-5-10-9(11-8)6-12-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4-propan-2-ylpyrimidine?
2-(methoxymethyl)-4-propan-2-ylpyrimidine has a molecular weight of 166.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 20605573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).