2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one

C8H13N3O3 — CID 135631209

IUPAC2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(NCCO)n1
InChIInChI=1S/C8H13N3O3/c1-14-5-6-4-7(13)11-8(10-6)9-2-3-12/h4,12H,2-3,5H2,1H3,(H2,9,10,11,13)
InChIKeyQIIARSDJMJWGIE-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.68
Rot. Bonds5

About 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one

2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135631209) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID135631209
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(NCCO)n1
InChIInChI=1S/C8H13N3O3/c1-14-5-6-4-7(13)11-8(10-6)9-2-3-12/h4,12H,2-3,5H2,1H3,(H2,9,10,11,13)
InChIKeyQIIARSDJMJWGIE-UHFFFAOYSA-N
XLogP-0.68
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-2-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136741563
4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136741567
2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741544
(3Z)-5-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]amino]-2-methylidenehexa-3,5-dienenitrile
CID 143713838
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778545
2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778710
2-[2-chloro-5-(trifluoromethyl)anilino]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741543
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741545
2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741575
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 135631209) is 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(NCCO)n1.
What is the InChIKey of 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is QIIARSDJMJWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-5-6-4-7(13)11-8(10-6)9-2-3-12/h4,12H,2-3,5H2,1H3,(H2,9,10,11,13).
What are the key properties of 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 199.21 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135631209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).