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

C17H19FN4O3 — CID 135446234

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C17H19FN4O3/c1-22-8-2-3-12(22)15-20-13(14(23)17(25)21-15)16(24)19-9-10-4-6-11(18)7-5-10/h4-7,12,23H,2-3,8-9H2,1H3,(H,19,24)(H,20,21,25)
InChIKeyBUYKZKKPQMDSSC-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.31
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135446234) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135446234
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C17H19FN4O3/c1-22-8-2-3-12(22)15-20-13(14(23)17(25)21-15)16(24)19-9-10-4-6-11(18)7-5-10/h4-7,12,23H,2-3,8-9H2,1H3,(H,19,24)(H,20,21,25)
InChIKeyBUYKZKKPQMDSSC-UHFFFAOYSA-N
XLogP1.31
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.31
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-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 135446234) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CN1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is BUYKZKKPQMDSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-22-8-2-3-12(22)15-20-13(14(23)17(25)21-15)16(24)19-9-10-4-6-11(18)7-5-10/h4-7,12,23H,2-3,8-9H2,1H3,(H,19,24)(H,20,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.31, 4 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-(1-methylpyrrolidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).