2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one

C14H17N3O3 — CID 135763942

IUPAC2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C14H17N3O3/c1-4-9-7-13(18)17-14(15-9)16-11-8-10(19-2)5-6-12(11)20-3/h5-8H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyUYPTUNXFFVQSDI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.09
Rot. Bonds5

About 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one

2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135763942) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
PubChem CID135763942
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C14H17N3O3/c1-4-9-7-13(18)17-14(15-9)16-11-8-10(19-2)5-6-12(11)20-3/h5-8H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyUYPTUNXFFVQSDI-UHFFFAOYSA-N
XLogP2.09
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779075
2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778545
3-(2,5-dimethoxyanilino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561089
2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
CID 136778628
2-(4-methoxyanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778650
4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787623
2-(4-chloroanilino)-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135682172
4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 136761470
N-(2,5-dimethoxyphenyl)-2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686581
2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
CID 136779616
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
4-ethyl-2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787660

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one (CID 135763942) is 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is UYPTUNXFFVQSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-9-7-13(18)17-14(15-9)16-11-8-10(19-2)5-6-12(11)20-3/h5-8H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one?
2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135763942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).