(Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine

C12H15F3N4 — CID 156803084

IUPAC(Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine
SMILESCC/C(N)=C/c1ncc2c(n1)C(C)(C(F)(F)F)CN2
InChIInChI=1S/C12H15F3N4/c1-3-7(16)4-9-17-5-8-10(19-9)11(2,6-18-8)12(13,14)15/h4-5,18H,3,6,16H2,1-2H3/b7-4-
InChIKeyXSDLIKMOIAVXDE-DAXSKMNVSA-N
MW272.27 g/mol
LogP2.43
Rot. Bonds2

About (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine

(Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine (PubChem CID 156803084) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine
PubChem CID156803084
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name(Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine
SMILESCC/C(N)=C/c1ncc2c(n1)C(C)(C(F)(F)F)CN2
InChIInChI=1S/C12H15F3N4/c1-3-7(16)4-9-17-5-8-10(19-9)11(2,6-18-8)12(13,14)15/h4-5,18H,3,6,16H2,1-2H3/b7-4-
InChIKeyXSDLIKMOIAVXDE-DAXSKMNVSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine 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

2-Methyl-4-(pyrrolidin-3-yl)pyrimidine
CID 80503403
6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine
CID 21961500
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 138014760
7-Tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 57813875
1-Methyl-1-(2-trifluoromethyl-pyrimidin-4-yl)-ethylamine
CID 58138257
6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine
CID 58182688
4-Ethyl-2-(trifluoromethyl)pyrimidin-5-amine
CID 82374823
6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126546263
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
4-Cyclopropyl-2-(trifluoromethyl)pyrimidin-5-amine
CID 129975099
4-Isopropyl-2-(trifluoromethyl)pyrimidin-5-amine
CID 131424352
N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine
CID 141342019

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine?
The IUPAC name of (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine (CID 156803084) is (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine.
What is the SMILES notation for (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine?
The canonical SMILES for (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine is CC/C(N)=C/c1ncc2c(n1)C(C)(C(F)(F)F)CN2.
What is the InChIKey of (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine?
The InChIKey is XSDLIKMOIAVXDE-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-3-7(16)4-9-17-5-8-10(19-9)11(2,6-18-8)12(13,14)15/h4-5,18H,3,6,16H2,1-2H3/b7-4-.
What are the key properties of (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine?
(Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine has a molecular weight of 272.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine is sourced from PubChem (CID 156803084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).