N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide

C10H13N3O — CID 836596

IUPACN-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
SMILESCc1ccnc(NC(=O)C2CCC2)n1
InChIInChI=1S/C10H13N3O/c1-7-5-6-11-10(12-7)13-9(14)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,11,12,13,14)
InChIKeyPRBUOIWGJMAOEO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.52
Rot. Bonds2

About N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide

N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide (PubChem CID 836596) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
PubChem CID836596
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
SMILESCc1ccnc(NC(=O)C2CCC2)n1
InChIInChI=1S/C10H13N3O/c1-7-5-6-11-10(12-7)13-9(14)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,11,12,13,14)
InChIKeyPRBUOIWGJMAOEO-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-(4-methylpyrimidin-2-yl)acetamide
CID 167838726
3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 17224394
3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 114052834
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
8-tert-butyl-N-(4-methylpyrimidin-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572879
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide
CID 119042245

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide (CID 836596) is N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide is Cc1ccnc(NC(=O)C2CCC2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide?
The InChIKey is PRBUOIWGJMAOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-5-6-11-10(12-7)13-9(14)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,11,12,13,14).
What are the key properties of N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide?
N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide has a molecular weight of 191.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 836596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).