5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C15H12F3N7 — CID 168772504

IUPAC5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESC[C@H](Nc1ncc2c(-c3cnc4nccn4c3)c[nH]c2n1)C(F)(F)F
InChIInChI=1S/C15H12F3N7/c1-8(15(16,17)18)23-13-21-6-11-10(5-20-12(11)24-13)9-4-22-14-19-2-3-25(14)7-9/h2-8H,1H3,(H2,20,21,23,24)/t8-/m0/s1
InChIKeyQIAHEDLTRUUXIL-QMMMGPOBSA-N
MW347.30 g/mol
LogP3.03
Rot. Bonds3

About 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168772504) has the molecular formula C15H12F3N7 and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168772504
Molecular FormulaC15H12F3N7
Molecular Weight347.30 g/mol
Exact Mass347.11
IUPAC Name5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESC[C@H](Nc1ncc2c(-c3cnc4nccn4c3)c[nH]c2n1)C(F)(F)F
InChIInChI=1S/C15H12F3N7/c1-8(15(16,17)18)23-13-21-6-11-10(5-20-12(11)24-13)9-4-22-14-19-2-3-25(14)7-9/h2-8H,1H3,(H2,20,21,23,24)/t8-/m0/s1
InChIKeyQIAHEDLTRUUXIL-QMMMGPOBSA-N
XLogP3.03
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-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

1-[7-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168772915
5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773461
1-[2-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773690
N-[(2S)-butan-2-yl]-5-(3-ethylbenzotriazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773898
2-ethoxy-5-imidazo[1,2-a]pyridin-6-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 168772653
6-propan-2-ylimidazo[1,2-a]pyrimidine
CID 12826341
4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 168773109
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one
CID 168773665
5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773212
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
N-[(2S)-1-methoxypropan-2-yl]-5-quinazolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772628
N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide
CID 168773505

Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168772504) is 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is C[C@H](Nc1ncc2c(-c3cnc4nccn4c3)c[nH]c2n1)C(F)(F)F.
What is the InChIKey of 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is QIAHEDLTRUUXIL-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H12F3N7/c1-8(15(16,17)18)23-13-21-6-11-10(5-20-12(11)24-13)9-4-22-14-19-2-3-25(14)7-9/h2-8H,1H3,(H2,20,21,23,24)/t8-/m0/s1.
What are the key properties of 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 347.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyrimidin-6-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168772504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).