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

C10H14ClN5O2 — CID 11425738

IUPAC2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol
SMILESNc1nc(Cl)c2ncn(CCC(CO)CO)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)
InChIKeyFSJCDRZLIWVLEH-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.05
Rot. Bonds5

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

2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol (PubChem CID 11425738) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol
PubChem CID11425738
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol
SMILESNc1nc(Cl)c2ncn(CCC(CO)CO)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)
InChIKeyFSJCDRZLIWVLEH-UHFFFAOYSA-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 ≤ 500271.71
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 72214
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CID 242652
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CID 128517
Dihydrozeatin
CID 439631
(+-)-Dihydrozeatin
CID 32021
8-Bromo-9-(3-hydroxypropyl)-9H-adenine
CID 44572471
(2R)-2-Methyl-4-(9H-purin-6-ylamino)-1-butanol
CID 688447
3-(6-Amino-9H-purin-9-yl)propan-1-ol
CID 12486289
9-(4-Hydroxy-2-butyn)-adenine
CID 451935
1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
CID 9949313
6-Chloro famciclovir
CID 10155164
9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine
CID 147104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol?
The IUPAC name of 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol (CID 11425738) is 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol is Nc1nc(Cl)c2ncn(CCC(CO)CO)c2n1.
What is the InChIKey of 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol?
The InChIKey is FSJCDRZLIWVLEH-UHFFFAOYSA-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).
What are the key properties of 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol?
2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol has a molecular weight of 271.71 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]propane-1,3-diol is sourced from PubChem (CID 11425738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).