N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine

C15H14ClFN6 — CID 133438868

IUPACN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine
SMILESFc1ccc(N2CCC(Nc3ncnc4nc[nH]c34)C2)cc1Cl
InChIInChI=1S/C15H14ClFN6/c16-11-5-10(1-2-12(11)17)23-4-3-9(6-23)22-15-13-14(19-7-18-13)20-8-21-15/h1-2,5,7-9H,3-4,6H2,(H2,18,19,20,21,22)
InChIKeyVCJHJYBSFLSVRY-UHFFFAOYSA-N
MW332.77 g/mol
LogP2.84
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine (PubChem CID 133438868) has the molecular formula C15H14ClFN6 and a molecular weight of 332.77 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine
PubChem CID133438868
Molecular FormulaC15H14ClFN6
Molecular Weight332.77 g/mol
Exact Mass332.10
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine
SMILESFc1ccc(N2CCC(Nc3ncnc4nc[nH]c34)C2)cc1Cl
InChIInChI=1S/C15H14ClFN6/c16-11-5-10(1-2-12(11)17)23-4-3-9(6-23)22-15-13-14(19-7-18-13)20-8-21-15/h1-2,5,7-9H,3-4,6H2,(H2,18,19,20,21,22)
InChIKeyVCJHJYBSFLSVRY-UHFFFAOYSA-N
XLogP2.84
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-5-methylpyrimidin-2-amine
CID 133438905
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-nitropyridin-2-amine
CID 133438863
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133438923
N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine
CID 133320076
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133
1-[3-(7H-purin-6-ylamino)pyrrolidin-1-yl]propan-1-one
CID 133366498
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133438886
N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine
CID 47406251
(3R)-1-(3-chloro-4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97340201
3-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-1,2-thiazole-4-carbonitrile
CID 133438925
4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
CID 133438936

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine (CID 133438868) is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine is Fc1ccc(N2CCC(Nc3ncnc4nc[nH]c34)C2)cc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine?
The InChIKey is VCJHJYBSFLSVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN6/c16-11-5-10(1-2-12(11)17)23-4-3-9(6-23)22-15-13-14(19-7-18-13)20-8-21-15/h1-2,5,7-9H,3-4,6H2,(H2,18,19,20,21,22).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine?
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine has a molecular weight of 332.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine is sourced from PubChem (CID 133438868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).