1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol

C18H29N3O2 — CID 110116522

IUPAC1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCc1cc(CCC2CN(CC3(O)CCCCC3)CCO2)ncn1
InChIInChI=1S/C18H29N3O2/c1-15-11-16(20-14-19-15)5-6-17-12-21(9-10-23-17)13-18(22)7-3-2-4-8-18/h11,14,17,22H,2-10,12-13H2,1H3
InChIKeyQEMZBCMOWRQYPC-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.11
Rot. Bonds5

About 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol

1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol (PubChem CID 110116522) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol
PubChem CID110116522
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCc1cc(CCC2CN(CC3(O)CCCCC3)CCO2)ncn1
InChIInChI=1S/C18H29N3O2/c1-15-11-16(20-14-19-15)5-6-17-12-21(9-10-23-17)13-18(22)7-3-2-4-8-18/h11,14,17,22H,2-10,12-13H2,1H3
InChIKeyQEMZBCMOWRQYPC-UHFFFAOYSA-N
XLogP2.11
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol (CID 110116522) is 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol is Cc1cc(CCC2CN(CC3(O)CCCCC3)CCO2)ncn1.
What is the InChIKey of 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The InChIKey is QEMZBCMOWRQYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15-11-16(20-14-19-15)5-6-17-12-21(9-10-23-17)13-18(22)7-3-2-4-8-18/h11,14,17,22H,2-10,12-13H2,1H3.
What are the key properties of 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110116522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).