4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine

C11H16N2O — CID 168800113

IUPAC4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine
SMILESCOc1ncnc(C2CC2)c1C(C)C
InChIInChI=1S/C11H16N2O/c1-7(2)9-10(8-4-5-8)12-6-13-11(9)14-3/h6-8H,4-5H2,1-3H3
InChIKeyRZFOLQDKGUUQJH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.49
Rot. Bonds3

About 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine

4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine (PubChem CID 168800113) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine
PubChem CID168800113
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine
SMILESCOc1ncnc(C2CC2)c1C(C)C
InChIInChI=1S/C11H16N2O/c1-7(2)9-10(8-4-5-8)12-6-13-11(9)14-3/h6-8H,4-5H2,1-3H3
InChIKeyRZFOLQDKGUUQJH-UHFFFAOYSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine (CID 168800113) is 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine is COc1ncnc(C2CC2)c1C(C)C.
What is the InChIKey of 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine?
The InChIKey is RZFOLQDKGUUQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)9-10(8-4-5-8)12-6-13-11(9)14-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine?
4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine has a molecular weight of 192.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methoxy-5-propan-2-ylpyrimidine is sourced from PubChem (CID 168800113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).