N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C12H19N3O4 — CID 72897875

IUPACN,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-9-13-8-10(11(16)14-9)12(17)15(4-6-18-2)5-7-19-3/h8H,4-7H2,1-3H3,(H,13,14,16)
InChIKeyOOAMUBPBCJFCLX-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.19
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72897875) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72897875
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-9-13-8-10(11(16)14-9)12(17)15(4-6-18-2)5-7-19-3/h8H,4-7H2,1-3H3,(H,13,14,16)
InChIKeyOOAMUBPBCJFCLX-UHFFFAOYSA-N
XLogP-0.19
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide
CID 142343954
2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 144556016
5-Iodo-3-[3-(2-methoxyethylamino)propyl]-2-methylpyrimidin-4-one
CID 66342064
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
2-isopropyl-5-{[4-(2-methoxyethyl)piperazin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 91839408
N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95910172
5-(aminomethyl)-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 104189973
5-(aminomethyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 104189995

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72897875) is N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is COCCN(CCOC)C(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OOAMUBPBCJFCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-9-13-8-10(11(16)14-9)12(17)15(4-6-18-2)5-7-19-3/h8H,4-7H2,1-3H3,(H,13,14,16).
What are the key properties of N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72897875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).