2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol

C10H14ClN5O2 — CID 10516417

IUPAC2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol
SMILESNc1nc(Cl)c2ncn(CCC(CO)[14CH2]O)c2n1
InChIInChI=1S/C10H14ClN5O2/c11-8-7-9(15-10(12)14-8)16(5-13-7)2-1-6(3-17)4-18/h5-6,17-18H,1-4H2,(H2,12,14,15)/i3+2
InChIKeyFSJCDRZLIWVLEH-YZRHJBSPSA-N
MW273.70 g/mol
LogP0.05
Rot. Bonds5

About 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol

2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol (PubChem CID 10516417) has the molecular formula C10H14ClN5O2 and a molecular weight of 273.70 g/mol. Its IUPAC name is 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol
PubChem CID10516417
Molecular FormulaC10H14ClN5O2
Molecular Weight273.70 g/mol
Exact Mass273.09
IUPAC Name2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol
SMILESNc1nc(Cl)c2ncn(CCC(CO)[14CH2]O)c2n1
InChIInChI=1S/C10H14ClN5O2/c11-8-7-9(15-10(12)14-8)16(5-13-7)2-1-6(3-17)4-18/h5-6,17-18H,1-4H2,(H2,12,14,15)/i3+2
InChIKeyFSJCDRZLIWVLEH-YZRHJBSPSA-N
XLogP0.05
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol with MolForge

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Related Compounds

(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol
CID 54040507
6-chloro-9-pentylpurin-2-amine
CID 139201177
[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
CID 164881878
6-chloro-9-pent-4-ynylpurin-2-amine
CID 125495382
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
CID 14408836
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-methoxyphosphinic acid
CID 167008984
[(Z)-5-(2-amino-6-chloropurin-9-yl)pent-3-enyl]phosphonic acid
CID 88548050
5-[2-(2-amino-6-chloropurin-9-yl)ethyl]-1,3-dioxan-2-one
CID 10827890
6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine
CID 141106992
4-[3-(2-amino-6-chloropurin-9-yl)propanoylamino]benzoic acid
CID 22987935
6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine
CID 11781483
[2-(acetyloxymethyl)-4-(6-chloro-2-methylpurin-9-yl)butyl] acetate
CID 59017604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol?
The IUPAC name of 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol (CID 10516417) is 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol.
What is the SMILES notation for 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol?
The canonical SMILES for 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol is Nc1nc(Cl)c2ncn(CCC(CO)[14CH2]O)c2n1.
What is the InChIKey of 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol?
The InChIKey is FSJCDRZLIWVLEH-YZRHJBSPSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c11-8-7-9(15-10(12)14-8)16(5-13-7)2-1-6(3-17)4-18/h5-6,17-18H,1-4H2,(H2,12,14,15)/i3+2.
What are the key properties of 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol?
2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol has a molecular weight of 273.70 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol is sourced from PubChem (CID 10516417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).