2-methoxy-1-methylpyrimidin-4-imine

C6H9N3O — CID 171384134

IUPAC2-methoxy-1-methylpyrimidin-4-imine
SMILES[H]/N=c1\ccn(C)c(OC)n1
InChIInChI=1S/C6H9N3O/c1-9-4-3-5(7)8-6(9)10-2/h3-4,7H,1-2H3/b7-5+
InChIKeyCLNUBMROGBJFDV-FNORWQNLSA-N
MW139.16 g/mol
LogP-0.09
Rot. Bonds1

About 2-methoxy-1-methylpyrimidin-4-imine

2-methoxy-1-methylpyrimidin-4-imine (PubChem CID 171384134) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-methoxy-1-methylpyrimidin-4-imine.

Molecular Properties

Compound Name2-methoxy-1-methylpyrimidin-4-imine
PubChem CID171384134
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-methoxy-1-methylpyrimidin-4-imine
SMILES[H]/N=c1\ccn(C)c(OC)n1
InChIInChI=1S/C6H9N3O/c1-9-4-3-5(7)8-6(9)10-2/h3-4,7H,1-2H3/b7-5+
InChIKeyCLNUBMROGBJFDV-FNORWQNLSA-N
XLogP-0.09
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 1,4-dihydro-4-imino-1-methyl-
CID 23422085
Pyrimidine, 2-amino-1,4-dihydro-4-imino-1-methyl-
CID 101145593
Pyrimidine, 1,2-dihydro-2-imino-1-methyl-4-methylamino-
CID 55287407
Pyrimidine, 2-dimethylamino-1,4-dihydro-4-imino-1-methyl-
CID 171383875
Pyrimidine, 4-dimethylamino-1,2-dihydro-2-imino-1-methyl-
CID 171384332
3-Methylpyrimidin-4-imine
CID 13925307
1-Ethenyl-5-fluoro-2-methylpyrimidin-4-imine
CID 123605296
2,3-Dimethylpyrimidin-4-imine
CID 13925309
4-Imino-1-methyl-1,4-dihydropyrimidine hydroiodide
CID 129763868
1-(Methoxymethyl)pyridin-2-imine
CID 13143310
2-methoxy-1-methyl-2H-pyrimidin-4-amine
CID 70548670
3-[(Z)-prop-1-enyl]pyrimidin-4-imine
CID 88893426

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylpyrimidin-4-imine?
The IUPAC name of 2-methoxy-1-methylpyrimidin-4-imine (CID 171384134) is 2-methoxy-1-methylpyrimidin-4-imine.
What is the SMILES notation for 2-methoxy-1-methylpyrimidin-4-imine?
The canonical SMILES for 2-methoxy-1-methylpyrimidin-4-imine is [H]/N=c1\ccn(C)c(OC)n1.
What is the InChIKey of 2-methoxy-1-methylpyrimidin-4-imine?
The InChIKey is CLNUBMROGBJFDV-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-4-3-5(7)8-6(9)10-2/h3-4,7H,1-2H3/b7-5+.
What are the key properties of 2-methoxy-1-methylpyrimidin-4-imine?
2-methoxy-1-methylpyrimidin-4-imine has a molecular weight of 139.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylpyrimidin-4-imine is sourced from PubChem (CID 171384134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).