N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine

C15H16FN5 — CID 133308417

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine
SMILESCC(C)(CNc1ncnc2nc[nH]c12)c1cccc(F)c1
InChIInChI=1S/C15H16FN5/c1-15(2,10-4-3-5-11(16)6-10)7-17-13-12-14(19-8-18-12)21-9-20-13/h3-6,8-9H,7H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyLTWKKBWIGWTRTB-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.88
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine

N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine (PubChem CID 133308417) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine
PubChem CID133308417
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine
SMILESCC(C)(CNc1ncnc2nc[nH]c12)c1cccc(F)c1
InChIInChI=1S/C15H16FN5/c1-15(2,10-4-3-5-11(16)6-10)7-17-13-12-14(19-8-18-12)21-9-20-13/h3-6,8-9H,7H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyLTWKKBWIGWTRTB-UHFFFAOYSA-N
XLogP2.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
CID 51102003
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide
CID 133308376
N-(5-chloro-2,2-dimethylpentyl)-7H-purin-6-amine
CID 106142020
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
CID 63859364
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
N-[2-[4-chloro-1-(3-fluorophenyl)indol-2-yl]ethyl]-7H-purin-6-amine
CID 123513783
(7H-purin-6-ylamino)methanol
CID 86209273
N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 87328911

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine (CID 133308417) is N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine is CC(C)(CNc1ncnc2nc[nH]c12)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine?
The InChIKey is LTWKKBWIGWTRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-15(2,10-4-3-5-11(16)6-10)7-17-13-12-14(19-8-18-12)21-9-20-13/h3-6,8-9H,7H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine?
N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine has a molecular weight of 285.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine is sourced from PubChem (CID 133308417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).