4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one

C13H24N4O — CID 136752203

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)CCCN(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-5-11-14-12(10-13(18)15-11)17(6-2)9-7-8-16(3)4/h10H,5-9H2,1-4H3,(H,14,15,18)
InChIKeyAEWYSWXJGJPYOO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.11
Rot. Bonds7

About 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one

4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136752203) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136752203
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)CCCN(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-5-11-14-12(10-13(18)15-11)17(6-2)9-7-8-16(3)4/h10H,5-9H2,1-4H3,(H,14,15,18)
InChIKeyAEWYSWXJGJPYOO-UHFFFAOYSA-N
XLogP1.11
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958573
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009852
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009356
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979289
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
N'-ethyl-N'-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
CID 102999011
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957646

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136752203) is 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CC)CCCN(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is AEWYSWXJGJPYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11-14-12(10-13(18)15-11)17(6-2)9-7-8-16(3)4/h10H,5-9H2,1-4H3,(H,14,15,18).
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136752203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).