6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

C21H21FN4O — CID 109357737

IUPAC6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C21H21FN4O/c1-21(2,3)16-6-4-5-7-17(16)26-19-12-18(23-13-24-19)20(27)25-15-10-8-14(22)9-11-15/h4-13H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyPNXRLQMOIYHVCU-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.91
Rot. Bonds4

About 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109357737) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109357737
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C21H21FN4O/c1-21(2,3)16-6-4-5-7-17(16)26-19-12-18(23-13-24-19)20(27)25-15-10-8-14(22)9-11-15/h4-13H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyPNXRLQMOIYHVCU-UHFFFAOYSA-N
XLogP4.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
N-(4-tert-butylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357781
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348315
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109353761
6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348193
N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754
N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357824
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (CID 109357737) is 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is CC(C)(C)c1ccccc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is PNXRLQMOIYHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-21(2,3)16-6-4-5-7-17(16)26-19-12-18(23-13-24-19)20(27)25-15-10-8-14(22)9-11-15/h4-13H,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).