2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine

C11H14ClN5O — CID 141233178

IUPAC2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine
SMILESCO[C@H]1CCC[C@@H]1Nc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H14ClN5O/c1-18-7-4-2-3-6(7)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16,17)/t6-,7-/m0/s1
InChIKeyVSZDNWQIQOAIAE-BQBZGAKWSA-N
MW267.72 g/mol
LogP1.99
Rot. Bonds3

About 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine

2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine (PubChem CID 141233178) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine
PubChem CID141233178
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine
SMILESCO[C@H]1CCC[C@@H]1Nc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H14ClN5O/c1-18-7-4-2-3-6(7)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16,17)/t6-,7-/m0/s1
InChIKeyVSZDNWQIQOAIAE-BQBZGAKWSA-N
XLogP1.99
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine
CID 114096303
2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine
CID 154927028
2-chloro-N-(3,4-dimethylcyclohexyl)-7H-purin-6-amine
CID 113442687
2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine
CID 114123831
6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
CID 104623136
cis-(2S,6R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methoxycyclohexan-1-ol
CID 88589933
2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine
CID 146140302
N-(2-methoxycyclopentyl)-3,6-dimethylpyrazin-2-amine
CID 65417548
6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine
CID 115474051
6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine
CID 114785800
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine (CID 141233178) is 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine is CO[C@H]1CCC[C@@H]1Nc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine?
The InChIKey is VSZDNWQIQOAIAE-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-18-7-4-2-3-6(7)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16,17)/t6-,7-/m0/s1.
What are the key properties of 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine?
2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine has a molecular weight of 267.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine is sourced from PubChem (CID 141233178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).