1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone

C13H19N3O2 — CID 135089444

IUPAC1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCC2CCCOC2)nc1C
InChIInChI=1S/C13H19N3O2/c1-9-12(10(2)17)7-15-13(16-9)14-6-11-4-3-5-18-8-11/h7,11H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUQXPUNQCFIDFCI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.83
Rot. Bonds4

About 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone

1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone (PubChem CID 135089444) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone
PubChem CID135089444
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCC2CCCOC2)nc1C
InChIInChI=1S/C13H19N3O2/c1-9-12(10(2)17)7-15-13(16-9)14-6-11-4-3-5-18-8-11/h7,11H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUQXPUNQCFIDFCI-UHFFFAOYSA-N
XLogP1.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
N-(oxan-3-ylmethyl)quinazolin-2-amine
CID 114788931
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 114148420
5-(2-fluoro-4-methoxyphenyl)-4-methyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
CID 170925586
1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 71668637
ethyl 2-(1,4-dioxan-2-ylmethylamino)-4-methylpyrimidine-5-carboxylate
CID 83178983
2-[(3,3-dimethyloxan-4-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167803533
2-N,2-N-diethyl-5-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 55242219
4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 104841332

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone (CID 135089444) is 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone is CC(=O)c1cnc(NCC2CCCOC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone?
The InChIKey is UQXPUNQCFIDFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-12(10(2)17)7-15-13(16-9)14-6-11-4-3-5-18-8-11/h7,11H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone?
1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 135089444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).