2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine

C10H11ClF3N5 — CID 104787282

IUPAC2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H11ClF3N5/c1-2-3-19(4-10(12,13)14)8-6-7(16-5-15-6)17-9(11)18-8/h5H,2-4H2,1H3,(H,15,16,17,18)
InChIKeyCHWDXXIQOVLKCB-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine

2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine (PubChem CID 104787282) has the molecular formula C10H11ClF3N5 and a molecular weight of 293.68 g/mol. Its IUPAC name is 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
PubChem CID104787282
Molecular FormulaC10H11ClF3N5
Molecular Weight293.68 g/mol
Exact Mass293.07
IUPAC Name2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H11ClF3N5/c1-2-3-19(4-10(12,13)14)8-6-7(16-5-15-6)17-9(11)18-8/h5H,2-4H2,1H3,(H,15,16,17,18)
InChIKeyCHWDXXIQOVLKCB-UHFFFAOYSA-N
XLogP2.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
CID 104787062
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
CID 113453078
4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124566
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205
2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine
CID 104787295
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 104787415
2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol
CID 114784127

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine (CID 104787282) is 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine is CCCN(CC(F)(F)F)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine?
The InChIKey is CHWDXXIQOVLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N5/c1-2-3-19(4-10(12,13)14)8-6-7(16-5-15-6)17-9(11)18-8/h5H,2-4H2,1H3,(H,15,16,17,18).
What are the key properties of 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine?
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine has a molecular weight of 293.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine is sourced from PubChem (CID 104787282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).