1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea

C11H18N6O4 — CID 101161492

IUPAC1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea
SMILESCN(C)C(=O)NN(Cn1ccc(=O)[nH]c1=O)C(=O)N(C)C
InChIInChI=1S/C11H18N6O4/c1-14(2)10(20)13-17(11(21)15(3)4)7-16-6-5-8(18)12-9(16)19/h5-6H,7H2,1-4H3,(H,13,20)(H,12,18,19)
InChIKeyUHXSMHDEWQDCGP-UHFFFAOYSA-N
MW298.30 g/mol
LogP-1.34
Rot. Bonds2

About 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea

1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea (PubChem CID 101161492) has the molecular formula C11H18N6O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea
PubChem CID101161492
Molecular FormulaC11H18N6O4
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Name1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea
SMILESCN(C)C(=O)NN(Cn1ccc(=O)[nH]c1=O)C(=O)N(C)C
InChIInChI=1S/C11H18N6O4/c1-14(2)10(20)13-17(11(21)15(3)4)7-16-6-5-8(18)12-9(16)19/h5-6H,7H2,1-4H3,(H,13,20)(H,12,18,19)
InChIKeyUHXSMHDEWQDCGP-UHFFFAOYSA-N
XLogP-1.34
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 34500280
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
CID 177313030

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea?
The IUPAC name of 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea (CID 101161492) is 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea.
What is the SMILES notation for 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea?
The canonical SMILES for 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea is CN(C)C(=O)NN(Cn1ccc(=O)[nH]c1=O)C(=O)N(C)C.
What is the InChIKey of 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea?
The InChIKey is UHXSMHDEWQDCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O4/c1-14(2)10(20)13-17(11(21)15(3)4)7-16-6-5-8(18)12-9(16)19/h5-6H,7H2,1-4H3,(H,13,20)(H,12,18,19).
What are the key properties of 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea?
1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea has a molecular weight of 298.30 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea is sourced from PubChem (CID 101161492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).