2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine

C10H14ClN5O — CID 104787232

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
SMILESCOCC(C)N(C)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H14ClN5O/c1-6(4-17-3)16(2)9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,4H2,1-3H3,(H,12,13,14,15)
InChIKeyFHTWEJGQYMAFSI-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.48
Rot. Bonds4

About 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine

2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine (PubChem CID 104787232) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
PubChem CID104787232
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
SMILESCOCC(C)N(C)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H14ClN5O/c1-6(4-17-3)16(2)9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,4H2,1-3H3,(H,12,13,14,15)
InChIKeyFHTWEJGQYMAFSI-UHFFFAOYSA-N
XLogP1.48
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine
CID 104787272
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine
CID 104787295
2-[(2-chloro-7H-purin-6-yl)oxy]-N,N-dimethylethanamine
CID 104786985
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
CID 113453067
1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol
CID 104697715
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784714
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
CID 104787050
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine (CID 104787232) is 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine is COCC(C)N(C)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine?
The InChIKey is FHTWEJGQYMAFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-6(4-17-3)16(2)9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,4H2,1-3H3,(H,12,13,14,15).
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine?
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine has a molecular weight of 255.71 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 104787232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).