N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H18N4O3 — CID 113283943

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-6(2)11(3,5-12)15-9(17)7-4-8(16)14-10(18)13-7/h4,6H,5,12H2,1-3H3,(H,15,17)(H2,13,14,16,18)
InChIKeyGJXMDIIELKFOAT-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.83
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 113283943) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID113283943
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-6(2)11(3,5-12)15-9(17)7-4-8(16)14-10(18)13-7/h4,6H,5,12H2,1-3H3,(H,15,17)(H2,13,14,16,18)
InChIKeyGJXMDIIELKFOAT-UHFFFAOYSA-N
XLogP-0.83
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 113283943) is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC(C)C(C)(CN)NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is GJXMDIIELKFOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(2)11(3,5-12)15-9(17)7-4-8(16)14-10(18)13-7/h4,6H,5,12H2,1-3H3,(H,15,17)(H2,13,14,16,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 113283943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).