4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine

C10H8F3N3 — CID 116896762

IUPAC4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2cc[nH]c2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3/c1-6-4-8(7-2-3-14-5-7)16-9(15-6)10(11,12)13/h2-5,14H,1H3
InChIKeyARANOIVCIQGOEB-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.80
Rot. Bonds1

About 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine

4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 116896762) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID116896762
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2cc[nH]c2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3/c1-6-4-8(7-2-3-14-5-7)16-9(15-6)10(11,12)13/h2-5,14H,1H3
InChIKeyARANOIVCIQGOEB-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine (CID 116896762) is 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine is Cc1cc(-c2cc[nH]c2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is ARANOIVCIQGOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-6-4-8(7-2-3-14-5-7)16-9(15-6)10(11,12)13/h2-5,14H,1H3.
What are the key properties of 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine?
4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 227.19 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116896762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).