2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine

C18H15Cl2N5O4 — CID 67759594

IUPAC2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESO=C(O)COc1ccc(Cl)cc1Cl.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5O.C8H6Cl2O3/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1-3H,4H2,(H,11,12)
InChIKeyQRQHVFKCTBMOIL-UHFFFAOYSA-N
MW436.26 g/mol
LogP4.01
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine

2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine (PubChem CID 67759594) has the molecular formula C18H15Cl2N5O4 and a molecular weight of 436.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine
PubChem CID67759594
Molecular FormulaC18H15Cl2N5O4
Molecular Weight436.26 g/mol
Exact Mass435.05
IUPAC Name2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESO=C(O)COc1ccc(Cl)cc1Cl.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5O.C8H6Cl2O3/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1-3H,4H2,(H,11,12)
InChIKeyQRQHVFKCTBMOIL-UHFFFAOYSA-N
XLogP4.01
TPSA126.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide
CID 118310080
N'-[5-amino-6-(benzylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136254
N-[(2-amino-6-chlorophenyl)methyl]-7H-purin-6-amine
CID 69242166
4-chloro-2-[(7H-purin-6-ylamino)methyl]phenol;methanesulfonic acid
CID 175873135
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
5-chloro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69243386

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine (CID 67759594) is 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine is O=C(O)COc1ccc(Cl)cc1Cl.c1coc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is QRQHVFKCTBMOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O.C8H6Cl2O3/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1-3H,4H2,(H,11,12).
What are the key properties of 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine?
2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 436.26 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 67759594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).