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

C12H22N4O — CID 136752199

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H22N4O/c1-5-16(8-6-7-15(3)4)11-9-12(17)14-10(2)13-11/h9H,5-8H2,1-4H3,(H,13,14,17)
InChIKeyTVLKXCWZNQJVID-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.86
Rot. Bonds6

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

4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136752199) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136752199
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H22N4O/c1-5-16(8-6-7-15(3)4)11-9-12(17)14-10(2)13-11/h9H,5-8H2,1-4H3,(H,13,14,17)
InChIKeyTVLKXCWZNQJVID-UHFFFAOYSA-N
XLogP0.86
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(diethylamino)pyrimidin-4(3H)-one
CID 136776186
4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956608
2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957546
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957580
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957958
4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136958116
4-[(3-amino-2,2-difluoropropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136979146
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979153
2-ethyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136989922

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one (CID 136752199) is 4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one is CCN(CCCN(C)C)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is TVLKXCWZNQJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-16(8-6-7-15(3)4)11-9-12(17)14-10(2)13-11/h9H,5-8H2,1-4H3,(H,13,14,17).
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one?
4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 0.86, 6 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136752199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).