4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C17H23N7O2 — CID 154575576

IUPAC4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCOc1ccnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1
InChIInChI=1S/C17H23N7O2/c1-25-16-2-3-18-17(21-16)24-6-4-22(5-7-24)14-12-15(20-13-19-14)23-8-10-26-11-9-23/h2-3,12-13H,4-11H2,1H3
InChIKeySCDILOZBANVSKG-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.44
Rot. Bonds4

About 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 154575576) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID154575576
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCOc1ccnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1
InChIInChI=1S/C17H23N7O2/c1-25-16-2-3-18-17(21-16)24-6-4-22(5-7-24)14-12-15(20-13-19-14)23-8-10-26-11-9-23/h2-3,12-13H,4-11H2,1H3
InChIKeySCDILOZBANVSKG-UHFFFAOYSA-N
XLogP0.44
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 154575579
4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582519
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine
CID 122139046
4-[6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 146079475
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine
CID 167897148
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
N-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901782
2-cyclopropyl-4-ethyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154828961
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 154575576) is 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is COc1ccnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1.
What is the InChIKey of 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is SCDILOZBANVSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-25-16-2-3-18-17(21-16)24-6-4-22(5-7-24)14-12-15(20-13-19-14)23-8-10-26-11-9-23/h2-3,12-13H,4-11H2,1H3.
What are the key properties of 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 357.42 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 154575576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).