4-cyclopropyl-6-methoxy-5-methylpyrimidine

C9H12N2O — CID 162378440

IUPAC4-cyclopropyl-6-methoxy-5-methylpyrimidine
SMILESCOc1ncnc(C2CC2)c1C
InChIInChI=1S/C9H12N2O/c1-6-8(7-3-4-7)10-5-11-9(6)12-2/h5,7H,3-4H2,1-2H3
InChIKeyDDPVCVXJIKDIOS-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.67
Rot. Bonds2

About 4-cyclopropyl-6-methoxy-5-methylpyrimidine

4-cyclopropyl-6-methoxy-5-methylpyrimidine (PubChem CID 162378440) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-methoxy-5-methylpyrimidine
PubChem CID162378440
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-cyclopropyl-6-methoxy-5-methylpyrimidine
SMILESCOc1ncnc(C2CC2)c1C
InChIInChI=1S/C9H12N2O/c1-6-8(7-3-4-7)10-5-11-9(6)12-2/h5,7H,3-4H2,1-2H3
InChIKeyDDPVCVXJIKDIOS-UHFFFAOYSA-N
XLogP1.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.67
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-methylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-methoxy-5-methylpyrimidine (CID 162378440) is 4-cyclopropyl-6-methoxy-5-methylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-methoxy-5-methylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-methoxy-5-methylpyrimidine is COc1ncnc(C2CC2)c1C.
What is the InChIKey of 4-cyclopropyl-6-methoxy-5-methylpyrimidine?
The InChIKey is DDPVCVXJIKDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-8(7-3-4-7)10-5-11-9(6)12-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-methoxy-5-methylpyrimidine?
4-cyclopropyl-6-methoxy-5-methylpyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.67, 2 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-methylpyrimidine is sourced from PubChem (CID 162378440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).