2-chloro-N-propyl-7H-purin-6-amine

C8H10ClN5 — CID 22149709

IUPAC2-chloro-N-propyl-7H-purin-6-amine
SMILESCCCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C8H10ClN5/c1-2-3-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H2,10,11,12,13,14)
InChIKeyXSKMMLUIHYEGMP-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-N-propyl-7H-purin-6-amine

2-chloro-N-propyl-7H-purin-6-amine (PubChem CID 22149709) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 2-chloro-N-propyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-propyl-7H-purin-6-amine
PubChem CID22149709
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name2-chloro-N-propyl-7H-purin-6-amine
SMILESCCCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C8H10ClN5/c1-2-3-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H2,10,11,12,13,14)
InChIKeyXSKMMLUIHYEGMP-UHFFFAOYSA-N
XLogP1.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide
CID 113442663
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509
N-(3-butoxypropyl)-2-chloro-7H-purin-6-amine
CID 113481188
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
2-chloro-N-(5-methylhexyl)-7H-purin-6-amine
CID 113442702
3-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697631
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174
2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
4-[(2-chloro-7H-purin-6-yl)amino]-1-methoxybutan-2-ol
CID 106248433
2-chloro-N-(2-prop-2-ynylsulfanylethyl)-7H-purin-6-amine
CID 106432038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-propyl-7H-purin-6-amine (CID 22149709) is 2-chloro-N-propyl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-propyl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-propyl-7H-purin-6-amine is CCCNc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-propyl-7H-purin-6-amine?
The InChIKey is XSKMMLUIHYEGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-2-3-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H2,10,11,12,13,14).
What are the key properties of 2-chloro-N-propyl-7H-purin-6-amine?
2-chloro-N-propyl-7H-purin-6-amine has a molecular weight of 211.66 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-7H-purin-6-amine is sourced from PubChem (CID 22149709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).