2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine

C13H18ClN5O — CID 104787272

IUPAC2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine
SMILESCOCCN(c1nc(Cl)nc2nc[nH]c12)C(C)C1CC1
InChIInChI=1S/C13H18ClN5O/c1-8(9-3-4-9)19(5-6-20-2)12-10-11(16-7-15-10)17-13(14)18-12/h7-9H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKeyUSZCKPRBXIBLMN-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.26
Rot. Bonds6

About 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine

2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine (PubChem CID 104787272) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine
PubChem CID104787272
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine
SMILESCOCCN(c1nc(Cl)nc2nc[nH]c12)C(C)C1CC1
InChIInChI=1S/C13H18ClN5O/c1-8(9-3-4-9)19(5-6-20-2)12-10-11(16-7-15-10)17-13(14)18-12/h7-9H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKeyUSZCKPRBXIBLMN-UHFFFAOYSA-N
XLogP2.26
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321205
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80821177
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270
N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
CID 113453078
6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 55002940
2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol
CID 104697863
3,5-dichloro-6-N-(1-cyclopropylethyl)-2-N-ethyl-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 102757373
2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 80820388
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
CID 104787050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine (CID 104787272) is 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine is COCCN(c1nc(Cl)nc2nc[nH]c12)C(C)C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine?
The InChIKey is USZCKPRBXIBLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8(9-3-4-9)19(5-6-20-2)12-10-11(16-7-15-10)17-13(14)18-12/h7-9H,3-6H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine?
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine has a molecular weight of 295.77 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine is sourced from PubChem (CID 104787272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).