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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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).