4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine

C15H15N3O3 — CID 173140984

IUPAC4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine
SMILESc1ccc2c(c1)OC(c1cncnc1N1CCOCC1)O2
InChIInChI=1S/C15H15N3O3/c1-2-4-13-12(3-1)20-15(21-13)11-9-16-10-17-14(11)18-5-7-19-8-6-18/h1-4,9-10,15H,5-8H2
InChIKeyMYLITTLBQNVOLO-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.78
Rot. Bonds2

About 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine

4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine (PubChem CID 173140984) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine
PubChem CID173140984
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine
SMILESc1ccc2c(c1)OC(c1cncnc1N1CCOCC1)O2
InChIInChI=1S/C15H15N3O3/c1-2-4-13-12(3-1)20-15(21-13)11-9-16-10-17-14(11)18-5-7-19-8-6-18/h1-4,9-10,15H,5-8H2
InChIKeyMYLITTLBQNVOLO-UHFFFAOYSA-N
XLogP1.78
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride
CID 70170771
(4-morpholin-4-ylpyrimidin-5-yl)methanamine
CID 68698921
4-(4-pyridin-2-ylpyrimidin-5-yl)morpholine
CID 173446688
4-(5-bromopyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 66319749
4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine
CID 143471171
3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
CID 83890770
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
4-morpholin-4-ylpyrimidine-5-carboximidamide
CID 83883158
N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine
CID 54561117
4-(2-pyrimidin-5-ylphenyl)morpholine
CID 68578973
5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 65418435
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165808

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine (CID 173140984) is 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine is c1ccc2c(c1)OC(c1cncnc1N1CCOCC1)O2.
What is the InChIKey of 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine?
The InChIKey is MYLITTLBQNVOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-4-13-12(3-1)20-15(21-13)11-9-16-10-17-14(11)18-5-7-19-8-6-18/h1-4,9-10,15H,5-8H2.
What are the key properties of 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine?
4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine has a molecular weight of 285.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 173140984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).