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

C20H17FN6O4 — CID 135598685

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CC1)c1cnccn1
InChIInChI=1S/C20H17FN6O4/c21-12-3-1-11(2-4-12)9-24-17(30)14-15(28)18(31)26-19(25-14)20(5-6-20)27-16(29)13-10-22-7-8-23-13/h1-4,7-8,10,28H,5-6,9H2,(H,24,30)(H,27,29)(H,25,26,31)
InChIKeyWVXCBQVSIIASPF-UHFFFAOYSA-N
MW424.39 g/mol
LogP0.75
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide (PubChem CID 135598685) has the molecular formula C20H17FN6O4 and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide
PubChem CID135598685
Molecular FormulaC20H17FN6O4
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CC1)c1cnccn1
InChIInChI=1S/C20H17FN6O4/c21-12-3-1-11(2-4-12)9-24-17(30)14-15(28)18(31)26-19(25-14)20(5-6-20)27-16(29)13-10-22-7-8-23-13/h1-4,7-8,10,28H,5-6,9H2,(H,24,30)(H,27,29)(H,25,26,31)
InChIKeyWVXCBQVSIIASPF-UHFFFAOYSA-N
XLogP0.75
TPSA149.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyrazine-2-carbonylamino)propan-2-yl]-1H-pyrimidine-4-carboxamide
CID 135598679
2-[1-(dimethylamino)cyclopropyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135446250
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598699
2-[2-(diethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598635
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(piperazine-1-carbonyl)-1H-pyrimidine-4-carboxamide
CID 135602055
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(morpholin-4-ylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598712
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135932130
2-[[[2-(dimethylamino)acetyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601685
4-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]piperidine-1-carboxylic acid
CID 136658860
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]pentan-2-yl]urea
CID 46521288
2-(2-amino-1-methoxypropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598620

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide (CID 135598685) is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide is O=C(NC1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CC1)c1cnccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is WVXCBQVSIIASPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O4/c21-12-3-1-11(2-4-12)9-24-17(30)14-15(28)18(31)26-19(25-14)20(5-6-20)27-16(29)13-10-22-7-8-23-13/h1-4,7-8,10,28H,5-6,9H2,(H,24,30)(H,27,29)(H,25,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 424.39 g/mol, XLogP of 0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135598685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).