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

C9H11F3N4 — CID 82390474

IUPAC[7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine
SMILESCN1CCc2c1nc(CN)nc2C(F)(F)F
InChIInChI=1S/C9H11F3N4/c1-16-3-2-5-7(9(10,11)12)14-6(4-13)15-8(5)16/h2-4,13H2,1H3
InChIKeyKUYHRBJXWMWJMJ-UHFFFAOYSA-N
MW232.21 g/mol
LogP0.95
Rot. Bonds1

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

[7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine (PubChem CID 82390474) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine
PubChem CID82390474
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name[7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine
SMILESCN1CCc2c1nc(CN)nc2C(F)(F)F
InChIInChI=1S/C9H11F3N4/c1-16-3-2-5-7(9(10,11)12)14-6(4-13)15-8(5)16/h2-4,13H2,1H3
InChIKeyKUYHRBJXWMWJMJ-UHFFFAOYSA-N
XLogP0.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 59777309
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 127050019
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
CID 267678
N~4~-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 72903552
2-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 58334069
2-Ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 66969843
2-Propyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 66969968
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-[(3,3-Difluoropyrrolidin-1-yl)methyl]-4,6-dimethyl-5-propan-2-ylpyrimidine
CID 117884249
2-[(3,3-Difluoropyrrolidin-1-yl)methyl]-4-ethyl-6-methyl-5-propan-2-ylpyrimidine
CID 117884344
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
CID 118902713

Frequently Asked Questions

What is the IUPAC name of [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine?
The IUPAC name of [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine (CID 82390474) is [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine.
What is the SMILES notation for [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine?
The canonical SMILES for [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine is CN1CCc2c1nc(CN)nc2C(F)(F)F.
What is the InChIKey of [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine?
The InChIKey is KUYHRBJXWMWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-16-3-2-5-7(9(10,11)12)14-6(4-13)15-8(5)16/h2-4,13H2,1H3.
What are the key properties of [7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine?
[7-methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine has a molecular weight of 232.21 g/mol, XLogP of 0.95, 1 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-yl]methanamine is sourced from PubChem (CID 82390474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).