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

C10H17N3O2 — CID 135736975

IUPAC5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-3-5-11-10-12-7(2)8(4-6-14)9(15)13-10/h14H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyODVGHVPGFHWMFX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.44
Rot. Bonds5

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

5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one (PubChem CID 135736975) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one
PubChem CID135736975
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-3-5-11-10-12-7(2)8(4-6-14)9(15)13-10/h14H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyODVGHVPGFHWMFX-UHFFFAOYSA-N
XLogP0.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.44
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
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
5,6-Ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110198
6-Tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110306

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one (CID 135736975) is 5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one is CCCNc1nc(C)c(CCO)c(=O)[nH]1.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one?
The InChIKey is ODVGHVPGFHWMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-11-10-12-7(2)8(4-6-14)9(15)13-10/h14H,3-6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.44, 5 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-(propylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135736975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).