N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide

C17H18FN5O3 — CID 70232329

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)co1
InChIInChI=1S/C17H18FN5O3/c1-9-20-13(8-26-9)15(25)21-10-4-5-12(18)11(6-10)17(2)7-14(24)23(3)16(19)22-17/h4-6,8H,7H2,1-3H3,(H2,19,22)(H,21,25)
InChIKeyWFZBVFIIXOWIKJ-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.77
Rot. Bonds3

About N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 70232329) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID70232329
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)co1
InChIInChI=1S/C17H18FN5O3/c1-9-20-13(8-26-9)15(25)21-10-4-5-12(18)11(6-10)17(2)7-14(24)23(3)16(19)22-17/h4-6,8H,7H2,1-3H3,(H2,19,22)(H,21,25)
InChIKeyWFZBVFIIXOWIKJ-UHFFFAOYSA-N
XLogP1.77
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 70232329) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)co1.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is WFZBVFIIXOWIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3/c1-9-20-13(8-26-9)15(25)21-10-4-5-12(18)11(6-10)17(2)7-14(24)23(3)16(19)22-17/h4-6,8H,7H2,1-3H3,(H2,19,22)(H,21,25).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70232329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).