5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane

C49H68BrF6N7Sn — CID 160992287

IUPAC5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane
SMILESCC(C)(C)c1ccnc(-c2cnc(C(F)(F)F)nc2)c1.CC(C)(C)c1ccncc1.CCCC[Sn](CCCC)(CCCC)c1cc(C(C)(C)C)ccn1.FC(F)(F)c1ncc(Br)cn1
InChIInChI=1S/C14H14F3N3.C9H13N.C9H12N.C5H2BrF3N2.3C4H9.Sn/c1-13(2,3)10-4-5-18-11(6-10)9-7-19-12(20-8-9)14(15,16)17;2*1-9(2,3)8-4-6-10-7-5-8;6-3-1-10-4(11-2-3)5(7,8)9;3*1-3-4-2;/h4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-2H;3*1,3-4H2,2H3;
InChIKeyTUUGAQZUDKAQQN-UHFFFAOYSA-N
MW1067.73 g/mol
LogP14.93
Rot. Bonds11

About 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane

5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane (PubChem CID 160992287) has the molecular formula C49H68BrF6N7Sn and a molecular weight of 1067.73 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane
PubChem CID160992287
Molecular FormulaC49H68BrF6N7Sn
Molecular Weight1067.73 g/mol
Exact Mass1067.36
IUPAC Name5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane
SMILESCC(C)(C)c1ccnc(-c2cnc(C(F)(F)F)nc2)c1.CC(C)(C)c1ccncc1.CCCC[Sn](CCCC)(CCCC)c1cc(C(C)(C)C)ccn1.FC(F)(F)c1ncc(Br)cn1
InChIInChI=1S/C14H14F3N3.C9H13N.C9H12N.C5H2BrF3N2.3C4H9.Sn/c1-13(2,3)10-4-5-18-11(6-10)9-7-19-12(20-8-9)14(15,16)17;2*1-9(2,3)8-4-6-10-7-5-8;6-3-1-10-4(11-2-3)5(7,8)9;3*1-3-4-2;/h4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-2H;3*1,3-4H2,2H3;
InChIKeyTUUGAQZUDKAQQN-UHFFFAOYSA-N
XLogP14.93
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.73
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-(2-Pyrimidinyl)piperazino]-2,4-bis(trifluoromethyl)[1,8]naphthyridine
CID 2766446
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
4-Piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4187625
4-(4-Piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 155568156
2-pyridin-4-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972707
2-[1-[4-[5-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine
CID 130366474
5-{3-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-phenyl}-pyridin-2-ylamine
CID 25096944
4-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-[2,3']bipyridinyl-6'-ylamine
CID 86624638
2-Methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine
CID 118741438
2,7-Bis(di-2-pyridylfluoromethyl)-1,8-naphthyridine
CID 102367352
2-(Trifluoromethyl)-5-(4-t-butylpyridin-2-yl)pyrimidine
CID 134573785
4-(4-Fluorophenyl)-2-pyridin-3-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 4387545

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane?
The IUPAC name of 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane (CID 160992287) is 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane.
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane is CC(C)(C)c1ccnc(-c2cnc(C(F)(F)F)nc2)c1.CC(C)(C)c1ccncc1.CCCC[Sn](CCCC)(CCCC)c1cc(C(C)(C)C)ccn1.FC(F)(F)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane?
The InChIKey is TUUGAQZUDKAQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3.C9H13N.C9H12N.C5H2BrF3N2.3C4H9.Sn/c1-13(2,3)10-4-5-18-11(6-10)9-7-19-12(20-8-9)14(15,16)17;2*1-9(2,3)8-4-6-10-7-5-8;6-3-1-10-4(11-2-3)5(7,8)9;3*1-3-4-2;/h4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-2H;3*1,3-4H2,2H3;.
What are the key properties of 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane?
5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane has a molecular weight of 1067.73 g/mol, XLogP of 14.93, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethyl)pyrimidine;4-tert-butylpyridine;5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-tert-butyl-2-pyridinyl)stannane is sourced from PubChem (CID 160992287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).