N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide

C16H17N3O — CID 53014777

IUPACN-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide
SMILESCc1ccc(-c2ncc(NC(=O)C3CCC3)cn2)cc1
InChIInChI=1S/C16H17N3O/c1-11-5-7-12(8-6-11)15-17-9-14(10-18-15)19-16(20)13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,19,20)
InChIKeyOROVGVRMYBMMIN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.19
Rot. Bonds3

About N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide

N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide (PubChem CID 53014777) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide
PubChem CID53014777
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide
SMILESCc1ccc(-c2ncc(NC(=O)C3CCC3)cn2)cc1
InChIInChI=1S/C16H17N3O/c1-11-5-7-12(8-6-11)15-17-9-14(10-18-15)19-16(20)13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,19,20)
InChIKeyOROVGVRMYBMMIN-UHFFFAOYSA-N
XLogP3.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(2-phenylpyrimidin-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 146121724
N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
CID 103730424
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 95100497
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110735497
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
(3R)-N-(4-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085613
N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide
CID 87050807
(3S)-N-(4-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085612
N-(6-chloro-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 103730413
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide (CID 53014777) is N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide is Cc1ccc(-c2ncc(NC(=O)C3CCC3)cn2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide?
The InChIKey is OROVGVRMYBMMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-5-7-12(8-6-11)15-17-9-14(10-18-15)19-16(20)13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide?
N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 53014777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).