2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine

C12H6Cl2F3N3 — CID 142597884

IUPAC2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(N2CCc3c(Cl)nc(Cl)nc32)c(F)c1F
InChIInChI=1S/C12H6Cl2F3N3/c13-10-5-3-4-20(11(5)19-12(14)18-10)7-2-1-6(15)8(16)9(7)17/h1-2H,3-4H2
InChIKeyRVNBVDYEUQTHSZ-UHFFFAOYSA-N
MW320.10 g/mol
LogP3.89
Rot. Bonds1

About 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine

2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 142597884) has the molecular formula C12H6Cl2F3N3 and a molecular weight of 320.10 g/mol. Its IUPAC name is 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID142597884
Molecular FormulaC12H6Cl2F3N3
Molecular Weight320.10 g/mol
Exact Mass318.99
IUPAC Name2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(N2CCc3c(Cl)nc(Cl)nc32)c(F)c1F
InChIInChI=1S/C12H6Cl2F3N3/c13-10-5-3-4-20(11(5)19-12(14)18-10)7-2-1-6(15)8(16)9(7)17/h1-2H,3-4H2
InChIKeyRVNBVDYEUQTHSZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4-trifluorophenyl)-1,4-diazepane-2,5-dione
CID 64956628
2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101759
7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 10199452
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80775135
2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 170724844
3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine
CID 69463214
2-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117102250
2-(2,3,4-trifluorophenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79924006
2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 118055056
4-chloro-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 139415502
CID 166548241
CID 166548241
1-(2,3,4-trifluorophenyl)piperazine;hydrochloride
CID 90330803

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 142597884) is 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine is Fc1ccc(N2CCc3c(Cl)nc(Cl)nc32)c(F)c1F.
What is the InChIKey of 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is RVNBVDYEUQTHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3N3/c13-10-5-3-4-20(11(5)19-12(14)18-10)7-2-1-6(15)8(16)9(7)17/h1-2H,3-4H2.
What are the key properties of 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 320.10 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 142597884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).