2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine

C17H22N4O — CID 72915583

IUPAC2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCCC(OCc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-19-16(18)10-17(20-13)21-9-5-8-15(11-21)22-12-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H2,18,19,20)
InChIKeyXLAGHRBBKXDCNV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine

2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine (PubChem CID 72915583) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine
PubChem CID72915583
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCCC(OCc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-19-16(18)10-17(20-13)21-9-5-8-15(11-21)22-12-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H2,18,19,20)
InChIKeyXLAGHRBBKXDCNV-UHFFFAOYSA-N
XLogP2.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine (CID 72915583) is 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine is Cc1nc(N)cc(N2CCCC(OCc3ccccc3)C2)n1.
What is the InChIKey of 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is XLAGHRBBKXDCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-19-16(18)10-17(20-13)21-9-5-8-15(11-21)22-12-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H2,18,19,20).
What are the key properties of 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine?
2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 72915583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).