2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine

C17H14ClN5O2 — CID 134480957

IUPAC2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine
SMILESClc1nc(NCc2ccco2)c2[nH]c(OCc3ccccc3)nc2n1
InChIInChI=1S/C17H14ClN5O2/c18-16-21-14(19-9-12-7-4-8-24-12)13-15(22-16)23-17(20-13)25-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,19,20,21,22,23)
InChIKeyPZVPRGGAMMSLTA-UHFFFAOYSA-N
MW355.79 g/mol
LogP3.79
Rot. Bonds6

About 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine

2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine (PubChem CID 134480957) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine
PubChem CID134480957
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine
SMILESClc1nc(NCc2ccco2)c2[nH]c(OCc3ccccc3)nc2n1
InChIInChI=1S/C17H14ClN5O2/c18-16-21-14(19-9-12-7-4-8-24-12)13-15(22-16)23-17(20-13)25-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,19,20,21,22,23)
InChIKeyPZVPRGGAMMSLTA-UHFFFAOYSA-N
XLogP3.79
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
CID 134480627
2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine
CID 134480891
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 140866792
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine (CID 134480957) is 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine is Clc1nc(NCc2ccco2)c2[nH]c(OCc3ccccc3)nc2n1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine?
The InChIKey is PZVPRGGAMMSLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c18-16-21-14(19-9-12-7-4-8-24-12)13-15(22-16)23-17(20-13)25-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,19,20,21,22,23).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine?
2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine has a molecular weight of 355.79 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine is sourced from PubChem (CID 134480957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).