N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide

C9H13N3O3 — CID 4152349

IUPACN-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-9(2,3)7(14)10-5-4-6(13)12-8(15)11-5/h4H,1-3H3,(H3,10,11,12,13,14,15)
InChIKeyNUJVPKFNAMKDMU-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.05
Rot. Bonds1

About N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide

N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide (PubChem CID 4152349) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide
PubChem CID4152349
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-9(2,3)7(14)10-5-4-6(13)12-8(15)11-5/h4H,1-3H3,(H3,10,11,12,13,14,15)
InChIKeyNUJVPKFNAMKDMU-UHFFFAOYSA-N
XLogP0.05
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 3436100
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
CID 3526595
N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide
CID 3367770
4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 4228393
6-(bromoamino)-1H-pyrimidine-2,4-dione
CID 129114868
N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide
CID 57094768
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 5080941
1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea
CID 27102156
5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 2148524
5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 4173907
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide
CID 3526601
6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione
CID 146025742

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide (CID 4152349) is N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide?
The InChIKey is NUJVPKFNAMKDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,3)7(14)10-5-4-6(13)12-8(15)11-5/h4H,1-3H3,(H3,10,11,12,13,14,15).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide?
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide has a molecular weight of 211.22 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 4152349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).