N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide

C8H11N3O2 — CID 95910172

IUPACN,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5-9-4-6(7(12)10-5)8(13)11(2)3/h4H,1-3H3,(H,9,10,12)
InChIKeyKGVZFNJTOCNAOO-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.22
Rot. Bonds1

About N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide

N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 95910172) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID95910172
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5-9-4-6(7(12)10-5)8(13)11(2)3/h4H,1-3H3,(H,9,10,12)
InChIKeyKGVZFNJTOCNAOO-UHFFFAOYSA-N
XLogP-0.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
2-Tert-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 70787534
3-Carbamoyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine
CID 20438499
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
2,3-Dimethyl-5-[[methyl(propyl)amino]methyl]pyrimidin-4-one
CID 59881373
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 95910172) is N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)C)c(=O)[nH]1.
What is the InChIKey of N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KGVZFNJTOCNAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-9-4-6(7(12)10-5)8(13)11(2)3/h4H,1-3H3,(H,9,10,12).
What are the key properties of N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95910172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).