N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide

C12H18N4O2 — CID 107600138

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(C)nc(NC(=O)C2NCCC2C)n1
InChIInChI=1S/C12H18N4O2/c1-7-4-5-13-10(7)11(17)16-12-14-8(2)6-9(15-12)18-3/h6-7,10,13H,4-5H2,1-3H3,(H,14,15,16,17)
InChIKeyDHKROJNVGICNCM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.73
Rot. Bonds3

About N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 107600138) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
PubChem CID107600138
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(C)nc(NC(=O)C2NCCC2C)n1
InChIInChI=1S/C12H18N4O2/c1-7-4-5-13-10(7)11(17)16-12-14-8(2)6-9(15-12)18-3/h6-7,10,13H,4-5H2,1-3H3,(H,14,15,16,17)
InChIKeyDHKROJNVGICNCM-UHFFFAOYSA-N
XLogP0.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclopentane-1-carboxamide
CID 107600178
N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107600136
1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107602132
5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
CID 107600048
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
methyl N-(4-methoxy-6-methylpyrimidin-2-yl)carbamodithioate
CID 117062845
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776855
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide (CID 107600138) is N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide is COc1cc(C)nc(NC(=O)C2NCCC2C)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is DHKROJNVGICNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-4-5-13-10(7)11(17)16-12-14-8(2)6-9(15-12)18-3/h6-7,10,13H,4-5H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107600138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).