4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide

C16H17FN4O — CID 126774582

IUPAC4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)NCC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H17FN4O/c17-12-4-2-11(3-5-12)16(6-1-7-16)9-20-15(22)13-8-19-10-21-14(13)18/h2-5,8,10H,1,6-7,9H2,(H,20,22)(H2,18,19,21)
InChIKeySKSIFLDJNITGQH-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.05
Rot. Bonds4

About 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide

4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide (PubChem CID 126774582) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
PubChem CID126774582
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)NCC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H17FN4O/c17-12-4-2-11(3-5-12)16(6-1-7-16)9-20-15(22)13-8-19-10-21-14(13)18/h2-5,8,10H,1,6-7,9H2,(H,20,22)(H2,18,19,21)
InChIKeySKSIFLDJNITGQH-UHFFFAOYSA-N
XLogP2.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]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

4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide
CID 126771991
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 55746088
2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
CID 60555860
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86827891
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 91582196
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51092079

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide (CID 126774582) is 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide is Nc1ncncc1C(=O)NCC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is SKSIFLDJNITGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-12-4-2-11(3-5-12)16(6-1-7-16)9-20-15(22)13-8-19-10-21-14(13)18/h2-5,8,10H,1,6-7,9H2,(H,20,22)(H2,18,19,21).
What are the key properties of 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide?
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126774582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).