4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C14H23N5O — CID 647957

IUPAC4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O/c1-12-11-13(18-5-3-17(2)4-6-18)16-14(15-12)19-7-9-20-10-8-19/h11H,3-10H2,1-2H3
InChIKeyBMBIEKJDTGAZCY-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.37
Rot. Bonds2

About 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 647957) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID647957
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O/c1-12-11-13(18-5-3-17(2)4-6-18)16-14(15-12)19-7-9-20-10-8-19/h11H,3-10H2,1-2H3
InChIKeyBMBIEKJDTGAZCY-UHFFFAOYSA-N
XLogP0.37
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 647957) is 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine is Cc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is BMBIEKJDTGAZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-12-11-13(18-5-3-17(2)4-6-18)16-14(15-12)19-7-9-20-10-8-19/h11H,3-10H2,1-2H3.
What are the key properties of 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 277.37 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 647957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).