2-methoxy-4-propan-2-ylpyrimidine

C8H12N2O — CID 59058846

IUPAC2-methoxy-4-propan-2-ylpyrimidine
SMILESCOc1nccc(C(C)C)n1
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-5-9-8(10-7)11-3/h4-6H,1-3H3
InChIKeyHIMSWDGNMPGEKG-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.61
Rot. Bonds2

About 2-methoxy-4-propan-2-ylpyrimidine

2-methoxy-4-propan-2-ylpyrimidine (PubChem CID 59058846) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methoxy-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-methoxy-4-propan-2-ylpyrimidine
PubChem CID59058846
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methoxy-4-propan-2-ylpyrimidine
SMILESCOc1nccc(C(C)C)n1
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-5-9-8(10-7)11-3/h4-6H,1-3H3
InChIKeyHIMSWDGNMPGEKG-UHFFFAOYSA-N
XLogP1.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-propan-2-ylpyrimidine?
The IUPAC name of 2-methoxy-4-propan-2-ylpyrimidine (CID 59058846) is 2-methoxy-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-methoxy-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-methoxy-4-propan-2-ylpyrimidine is COc1nccc(C(C)C)n1.
What is the InChIKey of 2-methoxy-4-propan-2-ylpyrimidine?
The InChIKey is HIMSWDGNMPGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)7-4-5-9-8(10-7)11-3/h4-6H,1-3H3.
What are the key properties of 2-methoxy-4-propan-2-ylpyrimidine?
2-methoxy-4-propan-2-ylpyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propan-2-ylpyrimidine is sourced from PubChem (CID 59058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).