6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide

C21H20F2N4O — CID 112854311

IUPAC6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)Nc2c(F)cccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C21H20F2N4O/c1-21(2,3)27-17-12-16(24-19(25-17)13-8-5-4-6-9-13)20(28)26-18-14(22)10-7-11-15(18)23/h4-12H,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyUCMZXCHFCMULJZ-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.88
Rot. Bonds4

About 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide

6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854311) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112854311
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)Nc2c(F)cccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C21H20F2N4O/c1-21(2,3)27-17-12-16(24-19(25-17)13-8-5-4-6-9-13)20(28)26-18-14(22)10-7-11-15(18)23/h4-12H,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyUCMZXCHFCMULJZ-UHFFFAOYSA-N
XLogP4.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854020
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112854017
6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854299
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852260
6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
CID 112854288
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853650
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide (CID 112854311) is 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide is CC(C)(C)Nc1cc(C(=O)Nc2c(F)cccc2F)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is UCMZXCHFCMULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-21(2,3)27-17-12-16(24-19(25-17)13-8-5-4-6-9-13)20(28)26-18-14(22)10-7-11-15(18)23/h4-12H,1-3H3,(H,26,28)(H,24,25,27).
What are the key properties of 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide?
6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).