N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H7F3N4 — CID 110875231

IUPACN-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3[nH]ccc23)c(F)c1F
InChIInChI=1S/C12H7F3N4/c13-7-1-2-8(10(15)9(7)14)19-12-6-3-4-16-11(6)17-5-18-12/h1-5H,(H2,16,17,18,19)
InChIKeyPZIYVXAGKUNKNT-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.12
Rot. Bonds2

About N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875231) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875231
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC NameN-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3[nH]ccc23)c(F)c1F
InChIInChI=1S/C12H7F3N4/c13-7-1-2-8(10(15)9(7)14)19-12-6-3-4-16-11(6)17-5-18-12/h1-5H,(H2,16,17,18,19)
InChIKeyPZIYVXAGKUNKNT-UHFFFAOYSA-N
XLogP3.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,4-trifluorophenyl)-7H-purin-6-amine
CID 69242349
N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 57096235
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875100
3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
CID 146299202
N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174669328
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
N-[4-(2,4-dichlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166464576
N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10198864
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110875231) is N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3[nH]ccc23)c(F)c1F.
What is the InChIKey of N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PZIYVXAGKUNKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-7-1-2-8(10(15)9(7)14)19-12-6-3-4-16-11(6)17-5-18-12/h1-5H,(H2,16,17,18,19).
What are the key properties of N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 264.21 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).