4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine

C18H25N7O — CID 171333905

IUPAC4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(Cc3cnccn3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H25N7O/c1-15-12-17(22-18(21-15)25-8-10-26-11-9-25)24-6-4-23(5-7-24)14-16-13-19-2-3-20-16/h2-3,12-13H,4-11,14H2,1H3
InChIKeyLNJJEFOBLLJOKX-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.73
Rot. Bonds4

About 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 171333905) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID171333905
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(Cc3cnccn3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H25N7O/c1-15-12-17(22-18(21-15)25-8-10-26-11-9-25)24-6-4-23(5-7-24)14-16-13-19-2-3-20-16/h2-3,12-13H,4-11,14H2,1H3
InChIKeyLNJJEFOBLLJOKX-UHFFFAOYSA-N
XLogP0.73
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-{4-[4-(4-Methyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11055689
1-{4-[4-(2,6-Dimethyl-pyrimidin-4-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11056129
{4-[4-(2,6-Dimethyl-pyrimidin-4-yl)-piperazin-1-yl]-pyrimidin-2-yl}-methanol
CID 11130365
4-[Cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155562235
4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
CID 647957
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113842
2-[3-[4-Methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 110255483
4-Methyl-3-(4-methylpyrimidin-2-yl)morpholine
CID 110269460
1-(4-(6-Methyl-2-(piperidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)-2-(pyrimidin-2-yloxy)ethanone
CID 52417071
N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 136516363
5-Fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 136557301
2-(Ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine
CID 138022435

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 171333905) is 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1cc(N2CCN(Cc3cnccn3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is LNJJEFOBLLJOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-15-12-17(22-18(21-15)25-8-10-26-11-9-25)24-6-4-23(5-7-24)14-16-13-19-2-3-20-16/h2-3,12-13H,4-11,14H2,1H3.
What are the key properties of 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 355.45 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 171333905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).