N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide

C24H21FN6O2 — CID 136735471

IUPACN-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C24H21FN6O2/c1-14-19(13-27-15(2)28-14)24(33)30-21(16-6-8-17(25)9-7-16)11-18-12-22(32)31-23(29-18)20-5-3-4-10-26-20/h3-10,12-13,21H,11H2,1-2H3,(H,30,33)(H,29,31,32)/t21-/m1/s1
InChIKeyUZHBUNYWKSHFFD-OAQYLSRUSA-N
MW444.47 g/mol
LogP3.09
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide

N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 136735471) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID136735471
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C24H21FN6O2/c1-14-19(13-27-15(2)28-14)24(33)30-21(16-6-8-17(25)9-7-16)11-18-12-22(32)31-23(29-18)20-5-3-4-10-26-20/h3-10,12-13,21H,11H2,1-2H3,(H,30,33)(H,29,31,32)/t21-/m1/s1
InChIKeyUZHBUNYWKSHFFD-OAQYLSRUSA-N
XLogP3.09
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide (CID 136735471) is N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccc(F)cc2)c(C)n1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is UZHBUNYWKSHFFD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-14-19(13-27-15(2)28-14)24(33)30-21(16-6-8-17(25)9-7-16)11-18-12-22(32)31-23(29-18)20-5-3-4-10-26-20/h3-10,12-13,21H,11H2,1-2H3,(H,30,33)(H,29,31,32)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 136735471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).