N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide

C19H17FN4O3 — CID 135446356

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C19H17FN4O3/c1-24(14-5-3-2-4-6-14)19-22-15(16(25)18(27)23-19)17(26)21-11-12-7-9-13(20)10-8-12/h2-10,25H,11H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyAETQRFCHSOXFBP-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.31
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135446356) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135446356
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C19H17FN4O3/c1-24(14-5-3-2-4-6-14)19-22-15(16(25)18(27)23-19)17(26)21-11-12-7-9-13(20)10-8-12/h2-10,25H,11H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyAETQRFCHSOXFBP-UHFFFAOYSA-N
XLogP2.31
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide (CID 135446356) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide is CN(c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is AETQRFCHSOXFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-24(14-5-3-2-4-6-14)19-22-15(16(25)18(27)23-19)17(26)21-11-12-7-9-13(20)10-8-12/h2-10,25H,11H2,1H3,(H,21,26)(H,22,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).