6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine

C15H18N8O — CID 126888040

IUPAC6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ncnc4nc[nH]c34)CC2)ncn1
InChIInChI=1S/C15H18N8O/c1-24-12-6-11(16-7-17-12)22-10-2-4-23(5-3-10)15-13-14(19-8-18-13)20-9-21-15/h6-10H,2-5H2,1H3,(H,16,17,22)(H,18,19,20,21)
InChIKeyQBKSEEMMZVMKPP-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.23
Rot. Bonds4

About 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine

6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888040) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888040
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ncnc4nc[nH]c34)CC2)ncn1
InChIInChI=1S/C15H18N8O/c1-24-12-6-11(16-7-17-12)22-10-2-4-23(5-3-10)15-13-14(19-8-18-13)20-9-21-15/h6-10H,2-5H2,1H3,(H,16,17,22)(H,18,19,20,21)
InChIKeyQBKSEEMMZVMKPP-UHFFFAOYSA-N
XLogP1.23
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126888040) is 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(c3ncnc4nc[nH]c34)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is QBKSEEMMZVMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-24-12-6-11(16-7-17-12)22-10-2-4-23(5-3-10)15-13-14(19-8-18-13)20-9-21-15/h6-10H,2-5H2,1H3,(H,16,17,22)(H,18,19,20,21).
What are the key properties of 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 326.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).