2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one

C12H22N4O — CID 12502637

IUPAC2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one
SMILESCCCCn1c(N)nc(N(CC)CC)cc1=O
InChIInChI=1S/C12H22N4O/c1-4-7-8-16-11(17)9-10(14-12(16)13)15(5-2)6-3/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyZGYPVNLMCWXXJF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds6

About 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one

2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one (PubChem CID 12502637) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one
PubChem CID12502637
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one
SMILESCCCCn1c(N)nc(N(CC)CC)cc1=O
InChIInChI=1S/C12H22N4O/c1-4-7-8-16-11(17)9-10(14-12(16)13)15(5-2)6-3/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyZGYPVNLMCWXXJF-UHFFFAOYSA-N
XLogP1.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
2-amino-6-(diethylamino)pyrimidin-4(3H)-one
CID 136776186
Cwpakppsuvqhbb-uhfffaoysa-
CID 10013741
2,6-diamino-3-methylpyrimidin-4(3H)-one
CID 12896489
7-AMINO-2,3-DIHYDRO-8-(2-METHYLPROPYL)IMIDAZO[1,2-a]PYRIMIDIN-5(8H)-ONE
CID 13100554
1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone
CID 19009687
N,N-dimethyl-N'-(3-methyl-2,6-dioxo-1-propylpyrimidin-4-yl)methanimidamide
CID 21630303
N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 21916397
N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 23588609
1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea
CID 54206399
N-pentyl-N-[N'-(N'-pentylcarbamimidoyl)carbamimidoyl]prop-2-enamide
CID 60024222
6-[2-(Dimethylamino)-1-azavinyl]-1-ethyl-3-propyl-1,3-dihydropyrimidine-2,4-dione
CID 66630122

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one?
The IUPAC name of 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one (CID 12502637) is 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one is CCCCn1c(N)nc(N(CC)CC)cc1=O.
What is the InChIKey of 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one?
The InChIKey is ZGYPVNLMCWXXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-7-8-16-11(17)9-10(14-12(16)13)15(5-2)6-3/h9H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one?
2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one has a molecular weight of 238.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butyl-6-(diethylamino)pyrimidin-4-one is sourced from PubChem (CID 12502637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).