4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one

C12H21N3O2 — CID 136802055

IUPAC4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one
SMILESCCCN(CCO)Cc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-5-15(6-7-16)9-11-13-10(4-2)8-12(17)14-11/h8,16H,3-7,9H2,1-2H3,(H,13,14,17)
InChIKeyQFSWRSREKDWSGC-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.54
Rot. Bonds7

About 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one (PubChem CID 136802055) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one
PubChem CID136802055
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one
SMILESCCCN(CCO)Cc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-5-15(6-7-16)9-11-13-10(4-2)8-12(17)14-11/h8,16H,3-7,9H2,1-2H3,(H,13,14,17)
InChIKeyQFSWRSREKDWSGC-UHFFFAOYSA-N
XLogP0.54
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one
CID 137272501
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973719
4-ethyl-2-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 136748600
4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 136748601
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917
4-ethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-1H-pyrimidin-6-one
CID 136794907
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one
CID 137222262
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one (CID 136802055) is 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one is CCCN(CCO)Cc1nc(CC)cc(=O)[nH]1.
What is the InChIKey of 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one?
The InChIKey is QFSWRSREKDWSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-5-15(6-7-16)9-11-13-10(4-2)8-12(17)14-11/h8,16H,3-7,9H2,1-2H3,(H,13,14,17).
What are the key properties of 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136802055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).