1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine

C16H20N4O — CID 117224507

IUPAC1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1ccc(Oc2cnc(N3CCC(N)CC3)nc2)cc1
InChIInChI=1S/C16H20N4O/c1-12-2-4-14(5-3-12)21-15-10-18-16(19-11-15)20-8-6-13(17)7-9-20/h2-5,10-11,13H,6-9,17H2,1H3
InChIKeyBRLAQHVWPUJQPI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.50
Rot. Bonds3

About 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine

1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 117224507) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine
PubChem CID117224507
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1ccc(Oc2cnc(N3CCC(N)CC3)nc2)cc1
InChIInChI=1S/C16H20N4O/c1-12-2-4-14(5-3-12)21-15-10-18-16(19-11-15)20-8-6-13(17)7-9-20/h2-5,10-11,13H,6-9,17H2,1H3
InChIKeyBRLAQHVWPUJQPI-UHFFFAOYSA-N
XLogP2.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine (CID 117224507) is 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine is Cc1ccc(Oc2cnc(N3CCC(N)CC3)nc2)cc1.
What is the InChIKey of 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is BRLAQHVWPUJQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-2-4-14(5-3-12)21-15-10-18-16(19-11-15)20-8-6-13(17)7-9-20/h2-5,10-11,13H,6-9,17H2,1H3.
What are the key properties of 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine?
1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 117224507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).