2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine

C11H14ClN5O — CID 22948630

IUPAC2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine
SMILESCNc1nc(Cl)nc2c1ncn2C1CCCCO1
InChIInChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16)
InChIKeyCJMFCWBNWSFXRL-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.22
Rot. Bonds2

About 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine

2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine (PubChem CID 22948630) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine
PubChem CID22948630
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine
SMILESCNc1nc(Cl)nc2c1ncn2C1CCCCO1
InChIInChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16)
InChIKeyCJMFCWBNWSFXRL-UHFFFAOYSA-N
XLogP2.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine?
The IUPAC name of 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine (CID 22948630) is 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine.
What is the SMILES notation for 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine?
The canonical SMILES for 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine is CNc1nc(Cl)nc2c1ncn2C1CCCCO1.
What is the InChIKey of 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine?
The InChIKey is CJMFCWBNWSFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16).
What are the key properties of 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine?
2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine has a molecular weight of 267.72 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-9-(oxan-2-yl)purin-6-amine is sourced from PubChem (CID 22948630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).