4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine

C15H23N3O2 — CID 110118022

IUPAC4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
SMILESCC1(c2ncc(CN3CCOCC3)cn2)CCCCO1
InChIInChI=1S/C15H23N3O2/c1-15(4-2-3-7-20-15)14-16-10-13(11-17-14)12-18-5-8-19-9-6-18/h10-11H,2-9,12H2,1H3
InChIKeyNQCJABVYLRRDTB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds3

About 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine

4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine (PubChem CID 110118022) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
PubChem CID110118022
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
SMILESCC1(c2ncc(CN3CCOCC3)cn2)CCCCO1
InChIInChI=1S/C15H23N3O2/c1-15(4-2-3-7-20-15)14-16-10-13(11-17-14)12-18-5-8-19-9-6-18/h10-11H,2-9,12H2,1H3
InChIKeyNQCJABVYLRRDTB-UHFFFAOYSA-N
XLogP1.72
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2-Morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 72024778
2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
2-(2-Methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 110118027
4-[[2-(2-Methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine
CID 110118036
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine
CID 110118038
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
4-[[2-(Oxan-2-yl)pyrimidin-5-yl]methyl]morpholine
CID 118740131
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
(3R*,4R*)-1-(5-ethyl-2-methyl-4-pyrimidinyl)-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72840607
(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine
CID 95188830
N,N-dimethyl-5-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576652

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine (CID 110118022) is 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine is CC1(c2ncc(CN3CCOCC3)cn2)CCCCO1.
What is the InChIKey of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The InChIKey is NQCJABVYLRRDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(4-2-3-7-20-15)14-16-10-13(11-17-14)12-18-5-8-19-9-6-18/h10-11H,2-9,12H2,1H3.
What are the key properties of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine has a molecular weight of 277.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine is sourced from PubChem (CID 110118022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).