4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine

C16H13F3N4 — CID 141428953

IUPAC4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccnc(N)n2)[nH]1
InChIInChI=1S/C16H13F3N4/c1-9-2-3-10(16(17,18)19)8-11(9)12-4-5-13(22-12)14-6-7-21-15(20)23-14/h2-8,22H,1H3,(H2,20,21,23)
InChIKeyKJFQBTJUYSMUBT-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.05
Rot. Bonds2

About 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine

4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine (PubChem CID 141428953) has the molecular formula C16H13F3N4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine
PubChem CID141428953
Molecular FormulaC16H13F3N4
Molecular Weight318.30 g/mol
Exact Mass318.11
IUPAC Name4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccnc(N)n2)[nH]1
InChIInChI=1S/C16H13F3N4/c1-9-2-3-10(16(17,18)19)8-11(9)12-4-5-13(22-12)14-6-7-21-15(20)23-14/h2-8,22H,1H3,(H2,20,21,23)
InChIKeyKJFQBTJUYSMUBT-UHFFFAOYSA-N
XLogP4.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
CID 71042713
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
CID 163645607
4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine
CID 138805638
4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine
CID 102754134
5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 102755489
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide
CID 66571200
5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
CID 67411417
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
CID 116900504
6-[2-methyl-4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 102755510
4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine
CID 23134743
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine (CID 141428953) is 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine is Cc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccnc(N)n2)[nH]1.
What is the InChIKey of 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine?
The InChIKey is KJFQBTJUYSMUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4/c1-9-2-3-10(16(17,18)19)8-11(9)12-4-5-13(22-12)14-6-7-21-15(20)23-14/h2-8,22H,1H3,(H2,20,21,23).
What are the key properties of 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine?
4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine has a molecular weight of 318.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 141428953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).