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

C12H12ClN5O — CID 104787205

IUPAC2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESCCN(Cc1ccco1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C12H12ClN5O/c1-2-18(6-8-4-3-5-19-8)11-9-10(15-7-14-9)16-12(13)17-11/h3-5,7H,2,6H2,1H3,(H,14,15,16,17)
InChIKeyQHRYSEFGWLSETA-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.63
Rot. Bonds4

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

2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine (PubChem CID 104787205) has the molecular formula C12H12ClN5O and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
PubChem CID104787205
Molecular FormulaC12H12ClN5O
Molecular Weight277.71 g/mol
Exact Mass277.07
IUPAC Name2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESCCN(Cc1ccco1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C12H12ClN5O/c1-2-18(6-8-4-3-5-19-8)11-9-10(15-7-14-9)16-12(13)17-11/h3-5,7H,2,6H2,1H3,(H,14,15,16,17)
InChIKeyQHRYSEFGWLSETA-UHFFFAOYSA-N
XLogP2.63
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
CID 104787062
6-N,6-N-bis(furan-2-ylmethyl)-7H-purine-2,6-diamine
CID 75505978
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
CID 104787282
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
CID 113453067
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
N-benzyl-2-chloro-N-(naphthalen-1-ylmethyl)-7H-purin-6-amine
CID 141230720
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine (CID 104787205) is 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine is CCN(Cc1ccco1)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is QHRYSEFGWLSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-2-18(6-8-4-3-5-19-8)11-9-10(15-7-14-9)16-12(13)17-11/h3-5,7H,2,6H2,1H3,(H,14,15,16,17).
What are the key properties of 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine?
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 277.71 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 104787205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).