1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine

C10H17N3O — CID 116731053

IUPAC1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCCC(OC)c1nccc(CNC)n1
InChIInChI=1S/C10H17N3O/c1-4-9(14-3)10-12-6-5-8(13-10)7-11-2/h5-6,9,11H,4,7H2,1-3H3
InChIKeyBBIMAAIVBKQRJV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.29
Rot. Bonds5

About 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine

1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 116731053) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID116731053
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCCC(OC)c1nccc(CNC)n1
InChIInChI=1S/C10H17N3O/c1-4-9(14-3)10-12-6-5-8(13-10)7-11-2/h5-6,9,11H,4,7H2,1-3H3
InChIKeyBBIMAAIVBKQRJV-UHFFFAOYSA-N
XLogP1.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 116731108
1-[2-[cyclopropyl(methoxy)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 116731055
1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206877
N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine
CID 116633380
1-[2-(2-ethoxypropan-2-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 116731058
1-(2-cyclobutylpyrimidin-4-yl)-N-methylmethanamine
CID 64985841
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748617
N-methyl-1-[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methanamine
CID 65402198
1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine
CID 62747376
N-methyl-1-[2-(2-methylcyclopropyl)pyrimidin-4-yl]methanamine
CID 65421316
2-(1-methoxypropyl)pyrimidine-5-carbaldehyde
CID 116731013
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine (CID 116731053) is 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine is CCC(OC)c1nccc(CNC)n1.
What is the InChIKey of 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is BBIMAAIVBKQRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-9(14-3)10-12-6-5-8(13-10)7-11-2/h5-6,9,11H,4,7H2,1-3H3.
What are the key properties of 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine?
1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 195.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 116731053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).