2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine

C14H19ClN6O — CID 129405521

IUPAC2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine
SMILESCN1CCN(c2nc(Cl)nc3c2ncn3[C@H]2CCCO2)CC1
InChIInChI=1S/C14H19ClN6O/c1-19-4-6-20(7-5-19)12-11-13(18-14(15)17-12)21(9-16-11)10-3-2-8-22-10/h9-10H,2-8H2,1H3/t10-/m1/s1
InChIKeySLCVFHLBUZQFRH-SNVBAGLBSA-N
MW322.80 g/mol
LogP1.54
Rot. Bonds2

About 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine

2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine (PubChem CID 129405521) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine.

Molecular Properties

Compound Name2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine
PubChem CID129405521
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine
SMILESCN1CCN(c2nc(Cl)nc3c2ncn3[C@H]2CCCO2)CC1
InChIInChI=1S/C14H19ClN6O/c1-19-4-6-20(7-5-19)12-11-13(18-14(15)17-12)21(9-16-11)10-3-2-8-22-10/h9-10H,2-8H2,1H3/t10-/m1/s1
InChIKeySLCVFHLBUZQFRH-SNVBAGLBSA-N
XLogP1.54
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine
CID 10639510
4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine
CID 123229043
1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine
CID 141233569
2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
CID 146575258
3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151
2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574952
2-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-9-(oxan-2-yl)purine
CID 155456884
3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol
CID 146574627
9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
CID 176926702
2-chloro-9-(oxan-2-yl)-N-(3,3,3-trifluoropropyl)purin-6-amine
CID 175035843
2-bromo-N-(2,3-dichlorophenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine?
The IUPAC name of 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine (CID 129405521) is 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine.
What is the SMILES notation for 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine?
The canonical SMILES for 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine is CN1CCN(c2nc(Cl)nc3c2ncn3[C@H]2CCCO2)CC1.
What is the InChIKey of 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine?
The InChIKey is SLCVFHLBUZQFRH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19ClN6O/c1-19-4-6-20(7-5-19)12-11-13(18-14(15)17-12)21(9-16-11)10-3-2-8-22-10/h9-10H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine?
2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine has a molecular weight of 322.80 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine is sourced from PubChem (CID 129405521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).