2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide

C23H25FN4O — CID 109308327

IUPAC2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1nccc(C(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C23H25FN4O/c1-23(2,3)17-9-5-7-11-19(17)27-22-26-15-13-20(28-22)21(29)25-14-12-16-8-4-6-10-18(16)24/h4-11,13,15H,12,14H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyPBCSHUIOVFGQQI-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.63
Rot. Bonds6

About 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide

2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109308327) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109308327
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1nccc(C(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C23H25FN4O/c1-23(2,3)17-9-5-7-11-19(17)27-22-26-15-13-20(28-22)21(29)25-14-12-16-8-4-6-10-18(16)24/h4-11,13,15H,12,14H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyPBCSHUIOVFGQQI-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308648
N-[2-(2-fluorophenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296732
2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308320
N-[2-(2-fluorophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109308372
2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300183
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307172
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109299566
2-[2-(2-fluorophenyl)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295360
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895
2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311044
N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109316365
2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109311222

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109308327) is 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide is CC(C)(C)c1ccccc1Nc1nccc(C(=O)NCCc2ccccc2F)n1.
What is the InChIKey of 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is PBCSHUIOVFGQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-23(2,3)17-9-5-7-11-19(17)27-22-26-15-13-20(28-22)21(29)25-14-12-16-8-4-6-10-18(16)24/h4-11,13,15H,12,14H2,1-3H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).