2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one

C8H13N3O — CID 21488452

IUPAC2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(N(C)C)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-4-6-5-9-8(11(2)3)10-7(6)12/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyFQUFAHNTRHNZLA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.40
Rot. Bonds2

About 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one

2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 21488452) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
PubChem CID21488452
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(N(C)C)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-4-6-5-9-8(11(2)3)10-7(6)12/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyFQUFAHNTRHNZLA-UHFFFAOYSA-N
XLogP0.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)-5-methylpyrimidin-4-ol
CID 602372
5-Ethylpyrimidin-4-ol
CID 12423733
2-[(Dimethylamino)methyleneamino]-5-methylpyrimidin-4-one
CID 100976562
4(1H)-Pyrimidinone, 2-amino-5-ethyl-
CID 147274
2-Diethylamino-5-(2,2,2-trifluoro-ethyl)-pyrimidin-4-OL
CID 58845186
3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 118005247
3-ethyl-6-fluoro-7-methyl-2-sulfanylidene-9H-pyrimido[1,2-a]pyrimidin-8-one
CID 118005258
6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 122543751
7-fluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 122543755
6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 122543758
6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 122545063
2-Amino-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
CID 295803

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one (CID 21488452) is 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(N(C)C)[nH]c1=O.
What is the InChIKey of 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is FQUFAHNTRHNZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-6-5-9-8(11(2)3)10-7(6)12/h5H,4H2,1-3H3,(H,9,10,12).
What are the key properties of 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one?
2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 21488452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).