2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine

C15H18N4O — CID 145285836

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nc(C)c(C)c(C)n1
InChIInChI=1S/C15H18N4O/c1-8-9(2)18-14(19-10(8)3)12-13(11-5-6-11)16-7-17-15(12)20-4/h7,11H,5-6H2,1-4H3
InChIKeyYRSURQPGUIBVDV-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine (PubChem CID 145285836) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine
PubChem CID145285836
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nc(C)c(C)c(C)n1
InChIInChI=1S/C15H18N4O/c1-8-9(2)18-14(19-10(8)3)12-13(11-5-6-11)16-7-17-15(12)20-4/h7,11H,5-6H2,1-4H3
InChIKeyYRSURQPGUIBVDV-UHFFFAOYSA-N
XLogP2.74
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
4-Cyclopropyl-5-fluoro-6-methoxy-2-propan-2-ylpyrimidine
CID 89935529
4-Cyclopropyl-5-fluoro-6-methoxy-2-methylpyrimidine
CID 89945906
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine
CID 139437423
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-N,6-dimethyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine
CID 139437458
4-Cyclopropyl-6-(2-fluoroethoxy)-5-methylpyrimidine
CID 148058715
4-Cyclopropyl-6-(difluoromethoxy)-5-methylpyrimidine
CID 148362947
5-Tert-butyl-4-cyclopropyl-6-(difluoromethoxy)pyrimidine
CID 156289912
5-Tert-butyl-4-cyclopropyl-6-(2-fluoroethoxy)pyrimidine
CID 156289915
4-Cyclopropyl-6-(difluoromethoxy)-5-ethylpyrimidine
CID 156289996
5-Tert-butyl-2-[2-(5-tert-butyl-6-methoxypyrimidin-4-yl)-2-fluoropropyl]-4-methoxy-6-(1-methylcyclopropyl)pyrimidine
CID 156290032
5-Tert-butyl-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
CID 156290195

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine (CID 145285836) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine is COc1ncnc(C2CC2)c1-c1nc(C)c(C)c(C)n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine?
The InChIKey is YRSURQPGUIBVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-8-9(2)18-14(19-10(8)3)12-13(11-5-6-11)16-7-17-15(12)20-4/h7,11H,5-6H2,1-4H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine has a molecular weight of 270.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine is sourced from PubChem (CID 145285836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).