5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine

C16H22N6O — CID 71985413

IUPAC5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine
SMILESCOCc1nc(C)cc(N2CCN(c3ccc(N)nc3)CC2)n1
InChIInChI=1S/C16H22N6O/c1-12-9-16(20-15(19-12)11-23-2)22-7-5-21(6-8-22)13-3-4-14(17)18-10-13/h3-4,9-10H,5-8,11H2,1-2H3,(H2,17,18)
InChIKeyCSPXQFORYAAQTO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.24
Rot. Bonds4

About 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine

5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine (PubChem CID 71985413) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine
PubChem CID71985413
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine
SMILESCOCc1nc(C)cc(N2CCN(c3ccc(N)nc3)CC2)n1
InChIInChI=1S/C16H22N6O/c1-12-9-16(20-15(19-12)11-23-2)22-7-5-21(6-8-22)13-3-4-14(17)18-10-13/h3-4,9-10H,5-8,11H2,1-2H3,(H2,17,18)
InChIKeyCSPXQFORYAAQTO-UHFFFAOYSA-N
XLogP1.24
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine (CID 71985413) is 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine is COCc1nc(C)cc(N2CCN(c3ccc(N)nc3)CC2)n1.
What is the InChIKey of 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine?
The InChIKey is CSPXQFORYAAQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-9-16(20-15(19-12)11-23-2)22-7-5-21(6-8-22)13-3-4-14(17)18-10-13/h3-4,9-10H,5-8,11H2,1-2H3,(H2,17,18).
What are the key properties of 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine?
5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 71985413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).