4-(pyrimidin-5-ylmethyl)morpholine

C9H13N3O — CID 130750424

IUPAC4-(pyrimidin-5-ylmethyl)morpholine
SMILESc1ncc(CN2CCOCC2)cn1
InChIInChI=1S/C9H13N3O/c1-3-13-4-2-12(1)7-9-5-10-8-11-6-9/h5-6,8H,1-4,7H2
InChIKeyXKAOVNZSGQUIQB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.31
Rot. Bonds2

About 4-(pyrimidin-5-ylmethyl)morpholine

4-(pyrimidin-5-ylmethyl)morpholine (PubChem CID 130750424) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(pyrimidin-5-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(pyrimidin-5-ylmethyl)morpholine
PubChem CID130750424
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-(pyrimidin-5-ylmethyl)morpholine
SMILESc1ncc(CN2CCOCC2)cn1
InChIInChI=1S/C9H13N3O/c1-3-13-4-2-12(1)7-9-5-10-8-11-6-9/h5-6,8H,1-4,7H2
InChIKeyXKAOVNZSGQUIQB-UHFFFAOYSA-N
XLogP0.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine
CID 50961410
5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride
CID 155940752
2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
CID 123301378
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine
CID 141123869
4-[(4-chloro-3-pyridinyl)methyl]morpholine
CID 66998174
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-5-ylmethyl)morpholine?
The IUPAC name of 4-(pyrimidin-5-ylmethyl)morpholine (CID 130750424) is 4-(pyrimidin-5-ylmethyl)morpholine.
What is the SMILES notation for 4-(pyrimidin-5-ylmethyl)morpholine?
The canonical SMILES for 4-(pyrimidin-5-ylmethyl)morpholine is c1ncc(CN2CCOCC2)cn1.
What is the InChIKey of 4-(pyrimidin-5-ylmethyl)morpholine?
The InChIKey is XKAOVNZSGQUIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-13-4-2-12(1)7-9-5-10-8-11-6-9/h5-6,8H,1-4,7H2.
What are the key properties of 4-(pyrimidin-5-ylmethyl)morpholine?
4-(pyrimidin-5-ylmethyl)morpholine has a molecular weight of 179.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-5-ylmethyl)morpholine is sourced from PubChem (CID 130750424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).