8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine

C14H14F2N6 — CID 67587660

IUPAC8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine
SMILESCC(C)Nc1ncc2[nH]c(Nc3ccc(F)cc3F)nc2n1
InChIInChI=1S/C14H14F2N6/c1-7(2)18-13-17-6-11-12(21-13)22-14(20-11)19-10-4-3-8(15)5-9(10)16/h3-7H,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyDNPWAWHBZMFGPV-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.19
Rot. Bonds4

About 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine

8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine (PubChem CID 67587660) has the molecular formula C14H14F2N6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine.

Molecular Properties

Compound Name8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine
PubChem CID67587660
Molecular FormulaC14H14F2N6
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine
SMILESCC(C)Nc1ncc2[nH]c(Nc3ccc(F)cc3F)nc2n1
InChIInChI=1S/C14H14F2N6/c1-7(2)18-13-17-6-11-12(21-13)22-14(20-11)19-10-4-3-8(15)5-9(10)16/h3-7H,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyDNPWAWHBZMFGPV-UHFFFAOYSA-N
XLogP3.19
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-N-(1-methylcyclobutyl)-7H-purine-2,8-diamine
CID 140821821
N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247233
8-N-(2-chloro-4,6-difluorophenyl)-2-N-cyclobutyl-7H-purine-2,8-diamine
CID 155021448
2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779284
2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one
CID 53233791
2-N-cyclohexyl-8-N-(2,6-difluorophenyl)-7H-purine-2,8-diamine;heptane;propan-2-ol
CID 143262196
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840
5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949181
2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43763919
4-N-(2,4-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563686
2-(2,4-difluoroanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779279
2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786108

Frequently Asked Questions

What is the IUPAC name of 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine?
The IUPAC name of 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine (CID 67587660) is 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine.
What is the SMILES notation for 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine?
The canonical SMILES for 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine is CC(C)Nc1ncc2[nH]c(Nc3ccc(F)cc3F)nc2n1.
What is the InChIKey of 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine?
The InChIKey is DNPWAWHBZMFGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6/c1-7(2)18-13-17-6-11-12(21-13)22-14(20-11)19-10-4-3-8(15)5-9(10)16/h3-7H,1-2H3,(H3,17,18,19,20,21,22).
What are the key properties of 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine?
8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine has a molecular weight of 304.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine is sourced from PubChem (CID 67587660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).