N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide

C16H18FN3O — CID 53080214

IUPACN-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-10(2)15-18-9-13(11(3)20-15)16(21)19-8-12-6-4-5-7-14(12)17/h4-7,9-10H,8H2,1-3H3,(H,19,21)
InChIKeyGHEYRMGBKHUBGO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.98
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide

N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 53080214) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID53080214
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-10(2)15-18-9-13(11(3)20-15)16(21)19-8-12-6-4-5-7-14(12)17/h4-7,9-10H,8H2,1-3H3,(H,19,21)
InChIKeyGHEYRMGBKHUBGO-UHFFFAOYSA-N
XLogP2.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 100752793
N-[(2-fluorophenyl)methyl]-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110851218
4-methyl-N-(4-phenylbutan-2-yl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 53034177
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 118762672
2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde
CID 158871409
4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143993
N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316512
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181224
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46489598
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 53080214) is N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is GHEYRMGBKHUBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10(2)15-18-9-13(11(3)20-15)16(21)19-8-12-6-4-5-7-14(12)17/h4-7,9-10H,8H2,1-3H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53080214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).