2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide

C23H25FN4O — CID 109260147

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C23H25FN4O/c1-15(2)20-6-4-5-16(3)21(20)28-22(29)18-13-26-23(27-14-18)25-12-11-17-7-9-19(24)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,28,29)(H,25,26,27)
InChIKeyKWNANZOKSCVWFU-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.95
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109260147) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109260147
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C23H25FN4O/c1-15(2)20-6-4-5-16(3)21(20)28-22(29)18-13-26-23(27-14-18)25-12-11-17-7-9-19(24)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,28,29)(H,25,26,27)
InChIKeyKWNANZOKSCVWFU-UHFFFAOYSA-N
XLogP4.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284540
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255128
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260172
N-(4-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260157
2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305558
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
2-(3-chloro-4-fluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109260147) is 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cnc(NCCc2ccc(F)cc2)nc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is KWNANZOKSCVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15(2)20-6-4-5-16(3)21(20)28-22(29)18-13-26-23(27-14-18)25-12-11-17-7-9-19(24)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,28,29)(H,25,26,27).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109260147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).