N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H20N4O3 — CID 79668317

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c1-4-16(7-12(2,3)6-13)10(18)8-5-9(17)15-11(19)14-8/h5H,4,6-7,13H2,1-3H3,(H2,14,15,17,19)
InChIKeyYBUXZNVKWVCGMO-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.49
Rot. Bonds5

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

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 79668317) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID79668317
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c1-4-16(7-12(2,3)6-13)10(18)8-5-9(17)15-11(19)14-8/h5H,4,6-7,13H2,1-3H3,(H2,14,15,17,19)
InChIKeyYBUXZNVKWVCGMO-UHFFFAOYSA-N
XLogP-0.49
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60635867
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 79667981
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate
CID 55005954
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60961131
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 79668480
N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 79667775
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
CID 79996289
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82773249

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 79668317) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is YBUXZNVKWVCGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-16(7-12(2,3)6-13)10(18)8-5-9(17)15-11(19)14-8/h5H,4,6-7,13H2,1-3H3,(H2,14,15,17,19).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 79668317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).