N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C7H9N3O3 — CID 130708433

IUPACN,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C7H9N3O3/c1-8-5(11)4-3-9-7(13)10(2)6(4)12/h3H,1-2H3,(H,8,11)(H,9,13)
InChIKeyUDNJHPWUVJJDDI-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.57
Rot. Bonds1

About N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 130708433) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID130708433
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C7H9N3O3/c1-8-5(11)4-3-9-7(13)10(2)6(4)12/h3H,1-2H3,(H,8,11)(H,9,13)
InChIKeyUDNJHPWUVJJDDI-UHFFFAOYSA-N
XLogP-1.57
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thymine
CID 1135
5-Formyluracil
CID 304590
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
N,N-Dimethylthymine
CID 78112
1,1'-Trimethylenebis(thymine)
CID 89902
5-Acetyluracil
CID 234581
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(2-propynyl)-
CID 489882
6-Amino-1,5-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 5050734
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12692638
5-(Aminomethyl)pyrimidine-2,4-diol hydrochloride
CID 54595486

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 130708433) is N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CNC(=O)c1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is UDNJHPWUVJJDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-8-5(11)4-3-9-7(13)10(2)6(4)12/h3H,1-2H3,(H,8,11)(H,9,13).
What are the key properties of N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 130708433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).