2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one

C14H17N3O2 — CID 136778710

IUPAC2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C14H17N3O2/c1-9-5-4-6-12(10(9)2)16-14-15-11(8-19-3)7-13(18)17-14/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyZRKLKDLQKGJMMP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.28
Rot. Bonds4

About 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one

2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136778710) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136778710
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C14H17N3O2/c1-9-5-4-6-12(10(9)2)16-14-15-11(8-19-3)7-13(18)17-14/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyZRKLKDLQKGJMMP-UHFFFAOYSA-N
XLogP2.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741544
2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741575
4-(methoxymethyl)-2-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136741563
2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741545
2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778545
2-[2-chloro-5-(trifluoromethyl)anilino]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741543
2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135633218
[amino-(3-chloro-2-methylanilino)methylidene]-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]azanium
CID 135500237
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
CID 136779086
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
2-(2,3-dimethylanilino)-4-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrimidin-6-one
CID 135649745

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136778710) is 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(Nc2cccc(C)c2C)n1.
What is the InChIKey of 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ZRKLKDLQKGJMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-5-4-6-12(10(9)2)16-14-15-11(8-19-3)7-13(18)17-14/h4-7H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136778710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).