6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine

C10H10F3N3 — CID 58182688

IUPAC6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)C1=Nc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H10F3N3/c1-5(2)6-3-7-8(15-6)4-14-9(16-7)10(11,12)13/h4-5H,3H2,1-2H3
InChIKeyUHMZVHFSBBKZNF-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.78
Rot. Bonds1

About 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine

6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 58182688) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine
PubChem CID58182688
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)C1=Nc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H10F3N3/c1-5(2)6-3-7-8(15-6)4-14-9(16-7)10(11,12)13/h4-5H,3H2,1-2H3
InChIKeyUHMZVHFSBBKZNF-UHFFFAOYSA-N
XLogP2.78
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methylpyrimidine
CID 85981998
4-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-propylpyrimidine
CID 85982000
4-(1,1-Difluorohexyl)-2-methylpyrimidine
CID 101503112
7h-Pyrrolopyrimidine
CID 23560336
4-(1,1-Difluoroethyl)-2-methylpyrimidine
CID 58071592
N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 58115879
1-Methyl-1-(2-trifluoromethyl-pyrimidin-4-yl)-ethylamine
CID 58138257
2-Tert-butyl-4-(1,1-difluoroethyl)pyrimidine
CID 58305895
4-Tert-butyl-2-(1,1-difluoroethyl)pyrimidine
CID 58305922
4-Propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 58431341
4,5-Di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
CID 58874449
4-(2-Methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 59379317

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine (CID 58182688) is 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine is CC(C)C1=Nc2cnc(C(F)(F)F)nc2C1.
What is the InChIKey of 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is UHMZVHFSBBKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-5(2)6-3-7-8(15-6)4-14-9(16-7)10(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine?
6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 229.20 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 58182688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).