2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C16H16FN3O2 — CID 154836655

IUPAC2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H16FN3O2/c1-20(9-11-4-2-3-5-12(11)17)16(22)13-8-14(21)19-15(18-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3,(H,18,19,21)
InChIKeyQMZZILSFCFSPGN-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.06
Rot. Bonds4

About 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154836655) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154836655
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H16FN3O2/c1-20(9-11-4-2-3-5-12(11)17)16(22)13-8-14(21)19-15(18-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3,(H,18,19,21)
InChIKeyQMZZILSFCFSPGN-UHFFFAOYSA-N
XLogP2.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136545181
N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
5-(cyclopentanecarbonylamino)-N-[(2-fluorophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 51999602
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529
N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397517
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 146589899
5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107375107
1-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]isoquinoline-3-carboxamide
CID 55621998
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 154836655) is 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide is CN(Cc1ccccc1F)C(=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is QMZZILSFCFSPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-20(9-11-4-2-3-5-12(11)17)16(22)13-8-14(21)19-15(18-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3,(H,18,19,21).
What are the key properties of 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154836655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).