6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine

C17H14ClF3N4 — CID 175315515

IUPAC6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)cn2C)ncn1
InChIInChI=1S/C17H14ClF3N4/c1-22-16-7-14(23-9-24-16)15-5-10(8-25(15)2)12-6-11(17(19,20)21)3-4-13(12)18/h3-9H,1-2H3,(H,22,23,24)
InChIKeyBCWSXQQAMFRCKE-UHFFFAOYSA-N
MW366.77 g/mol
LogP4.86
Rot. Bonds3

About 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine

6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine (PubChem CID 175315515) has the molecular formula C17H14ClF3N4 and a molecular weight of 366.77 g/mol. Its IUPAC name is 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine
PubChem CID175315515
Molecular FormulaC17H14ClF3N4
Molecular Weight366.77 g/mol
Exact Mass366.09
IUPAC Name6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)cn2C)ncn1
InChIInChI=1S/C17H14ClF3N4/c1-22-16-7-14(23-9-24-16)15-5-10(8-25(15)2)12-6-11(17(19,20)21)3-4-13(12)18/h3-9H,1-2H3,(H,22,23,24)
InChIKeyBCWSXQQAMFRCKE-UHFFFAOYSA-N
XLogP4.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine (CID 175315515) is 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine is CNc1cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)cn2C)ncn1.
What is the InChIKey of 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine?
The InChIKey is BCWSXQQAMFRCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4/c1-22-16-7-14(23-9-24-16)15-5-10(8-25(15)2)12-6-11(17(19,20)21)3-4-13(12)18/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine?
6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine has a molecular weight of 366.77 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 175315515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).