N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine

C17H23N7O — CID 175656257

IUPACN-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine
SMILESCNc1nc(C2(C)CCCN(Cc3cc(C)on3)C2)nc2nc[nH]c12
InChIInChI=1S/C17H23N7O/c1-11-7-12(23-25-11)8-24-6-4-5-17(2,9-24)16-21-14(18-3)13-15(22-16)20-10-19-13/h7,10H,4-6,8-9H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyRIYJMNCIOTVUNL-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine

N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine (PubChem CID 175656257) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine
PubChem CID175656257
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine
SMILESCNc1nc(C2(C)CCCN(Cc3cc(C)on3)C2)nc2nc[nH]c12
InChIInChI=1S/C17H23N7O/c1-11-7-12(23-25-11)8-24-6-4-5-17(2,9-24)16-21-14(18-3)13-15(22-16)20-10-19-13/h7,10H,4-6,8-9H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyRIYJMNCIOTVUNL-UHFFFAOYSA-N
XLogP2.24
TPSA95.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine?
The IUPAC name of N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine (CID 175656257) is N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine.
What is the SMILES notation for N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine?
The canonical SMILES for N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine is CNc1nc(C2(C)CCCN(Cc3cc(C)on3)C2)nc2nc[nH]c12.
What is the InChIKey of N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine?
The InChIKey is RIYJMNCIOTVUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11-7-12(23-25-11)8-24-6-4-5-17(2,9-24)16-21-14(18-3)13-15(22-16)20-10-19-13/h7,10H,4-6,8-9H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine?
N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine has a molecular weight of 341.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-7H-purin-6-amine is sourced from PubChem (CID 175656257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).