7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C8H9F3N4 — CID 14929636

IUPAC7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCc2c1nc(N)nc2C(F)(F)F
InChIInChI=1S/C8H9F3N4/c1-15-3-2-4-5(8(9,10)11)13-7(12)14-6(4)15/h2-3H2,1H3,(H2,12,13,14)
InChIKeyCGLGMPIWXGUGOX-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.07
Rot. Bonds

About 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 14929636) has the molecular formula C8H9F3N4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID14929636
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCc2c1nc(N)nc2C(F)(F)F
InChIInChI=1S/C8H9F3N4/c1-15-3-2-4-5(8(9,10)11)13-7(12)14-6(4)15/h2-3H2,1H3,(H2,12,13,14)
InChIKeyCGLGMPIWXGUGOX-UHFFFAOYSA-N
XLogP1.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 67801147
2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 91205316
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
CID 118902713
4-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
CID 123916444
6-(2,2,2-Trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 140811183
2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
CID 155039166
(5S)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-4,5-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 163470030
7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
CID 166877698
2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 169221303
N-ethyl-7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
CID 169878000
2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 170331494
4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 170331660

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 14929636) is 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is CN1CCc2c1nc(N)nc2C(F)(F)F.
What is the InChIKey of 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CGLGMPIWXGUGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4/c1-15-3-2-4-5(8(9,10)11)13-7(12)14-6(4)15/h2-3H2,1H3,(H2,12,13,14).
What are the key properties of 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 218.18 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 14929636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).