1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine

C11H15N3O — CID 177142174

IUPAC1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine
SMILESC/N=C(\C)c1c(OC)ncnc1C1CC1
InChIInChI=1S/C11H15N3O/c1-7(12-2)9-10(8-4-5-8)13-6-14-11(9)15-3/h6,8H,4-5H2,1-3H3/b12-7+
InChIKeyWZEMYZZCWGFBBD-KPKJPENVSA-N
MW205.26 g/mol
LogP1.80
Rot. Bonds3

About 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine

1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine (PubChem CID 177142174) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine
PubChem CID177142174
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine
SMILESC/N=C(\C)c1c(OC)ncnc1C1CC1
InChIInChI=1S/C11H15N3O/c1-7(12-2)9-10(8-4-5-8)13-6-14-11(9)15-3/h6,8H,4-5H2,1-3H3/b12-7+
InChIKeyWZEMYZZCWGFBBD-KPKJPENVSA-N
XLogP1.80
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 118741016
4-(Fluoromethoxy)-6-propan-2-ylpyrimidine
CID 177852945
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
2-Chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine
CID 58252174
4-But-2-ynoxy-5-fluoro-6-(3-methylcyclohexyl)pyrimidine
CID 86001386
4-Cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine
CID 89037245
4-Cyclopropyl-5-fluoro-6-methoxy-2-propan-2-ylpyrimidine
CID 89935529
4-Cyclopropyl-5-fluoro-6-methoxy-2-methylpyrimidine
CID 89945906
4-But-2-ynoxy-5-fluoro-6-propan-2-ylpyrimidine
CID 90716026
4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
CID 121478453
4-(Difluoromethoxy)-6-propan-2-ylpyrimidine
CID 144179336

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine?
The IUPAC name of 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine (CID 177142174) is 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine.
What is the SMILES notation for 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine?
The canonical SMILES for 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine is C/N=C(\C)c1c(OC)ncnc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine?
The InChIKey is WZEMYZZCWGFBBD-KPKJPENVSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(12-2)9-10(8-4-5-8)13-6-14-11(9)15-3/h6,8H,4-5H2,1-3H3/b12-7+.
What are the key properties of 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine?
1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine has a molecular weight of 205.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methylethanimine is sourced from PubChem (CID 177142174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).