4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one

C15H19N3O3 — CID 136780116

IUPAC4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(NC(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O3/c1-10(11-4-6-13(21-3)7-5-11)16-15-17-12(9-20-2)8-14(19)18-15/h4-8,10H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyLGDZMVJDMFPIPJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.10
Rot. Bonds6

About 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one

4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136780116) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136780116
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(NC(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O3/c1-10(11-4-6-13(21-3)7-5-11)16-15-17-12(9-20-2)8-14(19)18-15/h4-8,10H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyLGDZMVJDMFPIPJ-UHFFFAOYSA-N
XLogP2.10
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780123
2-(1-phenylethylamino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779692
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741544
2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136780121
2-(4-methoxyanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778650
4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 137016530
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774549
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
CID 82562713
4-(methoxymethyl)-2-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136741563
2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
CID 135763942

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one (CID 136780116) is 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(NC(C)c2ccc(OC)cc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is LGDZMVJDMFPIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(11-4-6-13(21-3)7-5-11)16-15-17-12(9-20-2)8-14(19)18-15/h4-8,10H,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 289.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).