9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine

C14H11F2N5 — CID 154829307

IUPAC9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
SMILESFc1cccc(Nc2ncnc3c2ncn3C2CC2)c1F
InChIInChI=1S/C14H11F2N5/c15-9-2-1-3-10(11(9)16)20-13-12-14(18-6-17-13)21(7-19-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,17,18,20)
InChIKeyOQYRLTRJMHRTJH-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.18
Rot. Bonds3

About 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine

9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine (PubChem CID 154829307) has the molecular formula C14H11F2N5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
PubChem CID154829307
Molecular FormulaC14H11F2N5
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
SMILESFc1cccc(Nc2ncnc3c2ncn3C2CC2)c1F
InChIInChI=1S/C14H11F2N5/c15-9-2-1-3-10(11(9)16)20-13-12-14(18-6-17-13)21(7-19-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,17,18,20)
InChIKeyOQYRLTRJMHRTJH-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
CID 163344743
N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine
CID 154829347
N-(3-chloro-2-fluorophenyl)-9-(5-ethynyloxolan-2-yl)purin-6-amine
CID 151283073
N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146574673
N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755669
9-cyclopropyl-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]purin-6-amine
CID 136544652
9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
CID 166246142
9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
CID 169041252
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
propan-2-yl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate
CID 58270340
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019
4-N-(2,3-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80797806

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine?
The IUPAC name of 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine (CID 154829307) is 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine.
What is the SMILES notation for 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine?
The canonical SMILES for 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine is Fc1cccc(Nc2ncnc3c2ncn3C2CC2)c1F.
What is the InChIKey of 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine?
The InChIKey is OQYRLTRJMHRTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5/c15-9-2-1-3-10(11(9)16)20-13-12-14(18-6-17-13)21(7-19-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,17,18,20).
What are the key properties of 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine?
9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine has a molecular weight of 287.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine is sourced from PubChem (CID 154829307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).