N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine

C14H21N5O2 — CID 135129621

IUPACN-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine
SMILESCNc1nc(OC(C)C)nc2c1ncn2C1CCCCO1
InChIInChI=1S/C14H21N5O2/c1-9(2)21-14-17-12(15-3)11-13(18-14)19(8-16-11)10-6-4-5-7-20-10/h8-10H,4-7H2,1-3H3,(H,15,17,18)
InChIKeyQQWXNIDKEQJWEJ-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine

N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine (PubChem CID 135129621) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine.

Molecular Properties

Compound NameN-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine
PubChem CID135129621
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine
SMILESCNc1nc(OC(C)C)nc2c1ncn2C1CCCCO1
InChIInChI=1S/C14H21N5O2/c1-9(2)21-14-17-12(15-3)11-13(18-14)19(8-16-11)10-6-4-5-7-20-10/h8-10H,4-7H2,1-3H3,(H,15,17,18)
InChIKeyQQWXNIDKEQJWEJ-UHFFFAOYSA-N
XLogP2.35
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine?
The IUPAC name of N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine (CID 135129621) is N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine.
What is the SMILES notation for N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine?
The canonical SMILES for N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine is CNc1nc(OC(C)C)nc2c1ncn2C1CCCCO1.
What is the InChIKey of N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine?
The InChIKey is QQWXNIDKEQJWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9(2)21-14-17-12(15-3)11-13(18-14)19(8-16-11)10-6-4-5-7-20-10/h8-10H,4-7H2,1-3H3,(H,15,17,18).
What are the key properties of N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine?
N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine has a molecular weight of 291.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine is sourced from PubChem (CID 135129621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).