[4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol

C14H14ClN5O — CID 169449358

IUPAC[4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
SMILESCNc1nc(Cl)nc2c1ncn2Cc1ccc(CO)cc1
InChIInChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)6-9-2-4-10(7-21)5-3-9/h2-5,8,21H,6-7H2,1H3,(H,16,18,19)
InChIKeyOEZQCNKPEFXLFB-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.06
Rot. Bonds4

About [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol

[4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol (PubChem CID 169449358) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
PubChem CID169449358
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name[4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
SMILESCNc1nc(Cl)nc2c1ncn2Cc1ccc(CO)cc1
InChIInChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)6-9-2-4-10(7-21)5-3-9/h2-5,8,21H,6-7H2,1H3,(H,16,18,19)
InChIKeyOEZQCNKPEFXLFB-UHFFFAOYSA-N
XLogP2.06
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol (CID 169449358) is [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol is CNc1nc(Cl)nc2c1ncn2Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol?
The InChIKey is OEZQCNKPEFXLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)6-9-2-4-10(7-21)5-3-9/h2-5,8,21H,6-7H2,1H3,(H,16,18,19).
What are the key properties of [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol?
[4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol has a molecular weight of 303.75 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]phenyl]methanol is sourced from PubChem (CID 169449358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).