2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one

C8H13N3O2 — CID 11615291

IUPAC2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(NCCO)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(13)11(2)8(10-6)9-3-4-12/h5,12H,3-4H2,1-2H3,(H,9,10)
InChIKeyYPGWEGMXOMNPNV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.51
Rot. Bonds3

About 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one

2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one (PubChem CID 11615291) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one
PubChem CID11615291
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(NCCO)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(13)11(2)8(10-6)9-3-4-12/h5,12H,3-4H2,1-2H3,(H,9,10)
InChIKeyYPGWEGMXOMNPNV-UHFFFAOYSA-N
XLogP-0.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-(2-hydroxyethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388264
2-Ethyl-1-(4-hydroxy-6-methyl-2-pyrimidinyl)isourea
CID 135679882
2-[(3-Hydroxypropyl)amino]-6-methylpyrimidin-4-ol
CID 135452324
2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
CID 3505546
6-Amino-2-((2-hydroxyethyl)(methyl)amino)-4-pyrimidinol
CID 135408994
2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
CID 135451986
2-(2-Hydroxyethyl)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 12139398
2-(2-Hydroxyethyl)amino-6-methyl-4-oxodihydro-3h-pyrimidine
CID 129767968
2-Amino-6-methyl-3-(8-hydroxyethyl)-4-oxo-3,4-dihydropyrimidine
CID 129811374
2-(1-hydroxybutan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350763
2-(2-hydroxypropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388279

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one (CID 11615291) is 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C)c(NCCO)n1.
What is the InChIKey of 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one?
The InChIKey is YPGWEGMXOMNPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-7(13)11(2)8(10-6)9-3-4-12/h5,12H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one?
2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 11615291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).