2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine

C24H24F2N6 — CID 59646022

IUPAC2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine
SMILESCC(C)(C)c1ccn(-c2nccc(C(C)(C)c3ccnc(-c4ccc(F)cc4F)n3)n2)n1
InChIInChI=1S/C24H24F2N6/c1-23(2,3)18-10-13-32(31-18)22-28-12-9-20(30-22)24(4,5)19-8-11-27-21(29-19)16-7-6-15(25)14-17(16)26/h6-14H,1-5H3
InChIKeyCRKSUTRKYQWPFG-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.02
Rot. Bonds4

About 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine

2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine (PubChem CID 59646022) has the molecular formula C24H24F2N6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine.

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine
PubChem CID59646022
Molecular FormulaC24H24F2N6
Molecular Weight434.49 g/mol
Exact Mass434.20
IUPAC Name2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine
SMILESCC(C)(C)c1ccn(-c2nccc(C(C)(C)c3ccnc(-c4ccc(F)cc4F)n3)n2)n1
InChIInChI=1S/C24H24F2N6/c1-23(2,3)18-10-13-32(31-18)22-28-12-9-20(30-22)24(4,5)19-8-11-27-21(29-19)16-7-6-15(25)14-17(16)26/h6-14H,1-5H3
InChIKeyCRKSUTRKYQWPFG-UHFFFAOYSA-N
XLogP5.02
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-4-methoxypyrimidine
CID 141051307
4-tert-butyl-6-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-2-(2,4-difluorophenyl)pyrimidine
CID 153425434
2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine
CID 121384487
4-tert-butyl-2-[3-(4-tert-butyl-5-fluoro-1-methylpyrazol-3-yl)-5-fluorophenyl]pyrimidine
CID 140597044
1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole
CID 58704813
5-[5-(2,4-difluorophenyl)-4-methylthiophen-3-yl]-3-(2-fluoro-6-methylphenyl)-1-methyl-1,2,4-triazole
CID 142222497
[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
CID 146511965
2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
CID 82477593
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole
CID 46089030
4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
CID 62946502
3-(2-chloro-6-fluorophenyl)-5-[5-(2,4-difluorophenyl)-4-methylthiophen-3-yl]-1-methyl-1,2,4-triazole
CID 22065146

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine?
The IUPAC name of 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine (CID 59646022) is 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine.
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine is CC(C)(C)c1ccn(-c2nccc(C(C)(C)c3ccnc(-c4ccc(F)cc4F)n3)n2)n1.
What is the InChIKey of 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine?
The InChIKey is CRKSUTRKYQWPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6/c1-23(2,3)18-10-13-32(31-18)22-28-12-9-20(30-22)24(4,5)19-8-11-27-21(29-19)16-7-6-15(25)14-17(16)26/h6-14H,1-5H3.
What are the key properties of 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine?
2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine has a molecular weight of 434.49 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-yl)-4-[2-[2-(2,4-difluorophenyl)pyrimidin-4-yl]propan-2-yl]pyrimidine is sourced from PubChem (CID 59646022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).