N,6-dimethoxy-N-methylpyrimidine-4-carboxamide

C8H11N3O3 — CID 155009312

IUPACN,6-dimethoxy-N-methylpyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)N(C)OC)ncn1
InChIInChI=1S/C8H11N3O3/c1-11(14-3)8(12)6-4-7(13-2)10-5-9-6/h4-5H,1-3H3
InChIKeyOHIAKNFERWLONF-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.12
Rot. Bonds3

About N,6-dimethoxy-N-methylpyrimidine-4-carboxamide

N,6-dimethoxy-N-methylpyrimidine-4-carboxamide (PubChem CID 155009312) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N,6-dimethoxy-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethoxy-N-methylpyrimidine-4-carboxamide
PubChem CID155009312
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN,6-dimethoxy-N-methylpyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)N(C)OC)ncn1
InChIInChI=1S/C8H11N3O3/c1-11(14-3)8(12)6-4-7(13-2)10-5-9-6/h4-5H,1-3H3
InChIKeyOHIAKNFERWLONF-UHFFFAOYSA-N
XLogP0.12
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethoxy-4-pyrimidinecarboxaldehyde
CID 11105743
2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
6-Methoxypyrimidine-4-carbaldehyde
CID 83478989
6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628546
6-methoxy-N-(2-(3-methyl-6-oxopyridazin-1(6H)-yl)ethyl)pyrimidine-4-carboxamide
CID 91628569
Methyl 6-methoxypyrimidine-4-carboxylate
CID 68757587
6-Ethoxypyrimidine-4-carbaldehyde
CID 83872553
6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide
CID 91628565
(4,4-Dimethyloxazolidin-3-yl)(6-methoxypyrimidin-4-yl)methanone
CID 91628566
(2,6-Dimethoxypyrimidin-4-yl)-morpholin-4-ylmethanone
CID 3286661
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91816289
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280

Frequently Asked Questions

What is the IUPAC name of N,6-dimethoxy-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethoxy-N-methylpyrimidine-4-carboxamide (CID 155009312) is N,6-dimethoxy-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethoxy-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethoxy-N-methylpyrimidine-4-carboxamide is COc1cc(C(=O)N(C)OC)ncn1.
What is the InChIKey of N,6-dimethoxy-N-methylpyrimidine-4-carboxamide?
The InChIKey is OHIAKNFERWLONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(14-3)8(12)6-4-7(13-2)10-5-9-6/h4-5H,1-3H3.
What are the key properties of N,6-dimethoxy-N-methylpyrimidine-4-carboxamide?
N,6-dimethoxy-N-methylpyrimidine-4-carboxamide has a molecular weight of 197.19 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethoxy-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 155009312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).