4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide

C13H22N4O3 — CID 136717307

IUPAC4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide
SMILESCC(C)/N=C(\NC(C)C)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O3/c1-7(2)14-10(15-8(3)4)9-11(18)16(5)13(20)17(6)12(9)19/h7-8,18H,1-6H3,(H,14,15)
InChIKeyTWLJAVSYPCNYOQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.06
Rot. Bonds3

About 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide

4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide (PubChem CID 136717307) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide
PubChem CID136717307
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide
SMILESCC(C)/N=C(\NC(C)C)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O3/c1-7(2)14-10(15-8(3)4)9-11(18)16(5)13(20)17(6)12(9)19/h7-8,18H,1-6H3,(H,14,15)
InChIKeyTWLJAVSYPCNYOQ-UHFFFAOYSA-N
XLogP-0.06
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea
CID 136623139
6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
CID 123552336
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135956356
6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
CID 135777862
methyl 4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 136719203
6-hydroxy-1,3-dimethyl-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 4269333
6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
CID 136593527
5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 3796868
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxy-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboximidothioate
CID 3280532
5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 657683
6-hydroxy-5-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135570253
6-hydroxy-1,3-dimethyl-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]pyrimidine-2,4-dione
CID 136897085

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide?
The IUPAC name of 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide (CID 136717307) is 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide.
What is the SMILES notation for 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide?
The canonical SMILES for 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide is CC(C)/N=C(\NC(C)C)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide?
The InChIKey is TWLJAVSYPCNYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-7(2)14-10(15-8(3)4)9-11(18)16(5)13(20)17(6)12(9)19/h7-8,18H,1-6H3,(H,14,15).
What are the key properties of 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide?
4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide has a molecular weight of 282.34 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide is sourced from PubChem (CID 136717307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).