5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one

C8H13N3O2 — CID 135736974

IUPAC5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5-6(3-4-12)7(13)11-8(9-2)10-5/h12H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyZJHGRSPHOHTPIX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.35
Rot. Bonds3

About 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135736974) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135736974
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5-6(3-4-12)7(13)11-8(9-2)10-5/h12H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyZJHGRSPHOHTPIX-UHFFFAOYSA-N
XLogP-0.35
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-(2-hydroxyethyl)-6-methyl-4(3H)-pyrimidinone
CID 135408695
2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 135459457
1,6-Dihydro-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidine
CID 135422502
2-(4-Ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-6-methyl-3H-pyrimidin-4-one
CID 135644926
5-(2-Hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one
CID 19100867
3-Ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
CID 19100868
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 19100898
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 19100903
N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide
CID 19100919
2-amino-5-(2-hydroxyethyl)-3,6-dimethyl-4(3H)-pyrimidinone
CID 19100928
2-(2-Ethoxyethylamino)-5-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
CID 20061459
2-methoxy-5-(2-hydroxyethyl)-3,6-dimethyl-3H-pyrimidin-4-one
CID 69314207

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one (CID 135736974) is 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(C)c(CCO)c(=O)[nH]1.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is ZJHGRSPHOHTPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-6(3-4-12)7(13)11-8(9-2)10-5/h12H,3-4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135736974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).