N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide

C16H25N3O3 — CID 86284254

IUPACN-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)CC2CCCCO2)nc(=O)[nH]1
InChIInChI=1S/C16H25N3O3/c1-11(2)8-12-9-14(18-16(21)17-12)15(20)19(3)10-13-6-4-5-7-22-13/h9,11,13H,4-8,10H2,1-3H3,(H,17,18,21)
InChIKeyQBTOKJXHFYQVCB-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.61
Rot. Bonds5

About N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 86284254) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID86284254
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)CC2CCCCO2)nc(=O)[nH]1
InChIInChI=1S/C16H25N3O3/c1-11(2)8-12-9-14(18-16(21)17-12)15(20)19(3)10-13-6-4-5-7-22-13/h9,11,13H,4-8,10H2,1-3H3,(H,17,18,21)
InChIKeyQBTOKJXHFYQVCB-UHFFFAOYSA-N
XLogP1.61
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 86284254) is N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)N(C)CC2CCCCO2)nc(=O)[nH]1.
What is the InChIKey of N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is QBTOKJXHFYQVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)8-12-9-14(18-16(21)17-12)15(20)19(3)10-13-6-4-5-7-22-13/h9,11,13H,4-8,10H2,1-3H3,(H,17,18,21).
What are the key properties of N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylpropyl)-N-(oxan-2-ylmethyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 86284254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).