4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline

C18H22N4O2 — CID 67506451

IUPAC4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
SMILESCC1COCCN1c1nc(-c2ccc(N)cc2)nc2c1COCC2
InChIInChI=1S/C18H22N4O2/c1-12-10-24-9-7-22(12)18-15-11-23-8-6-16(15)20-17(21-18)13-2-4-14(19)5-3-13/h2-5,12H,6-11,19H2,1H3
InChIKeyWJFHYIUDCLCLSL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.02
Rot. Bonds2

About 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline

4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline (PubChem CID 67506451) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
PubChem CID67506451
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
SMILESCC1COCCN1c1nc(-c2ccc(N)cc2)nc2c1COCC2
InChIInChI=1S/C18H22N4O2/c1-12-10-24-9-7-22(12)18-15-11-23-8-6-16(15)20-17(21-18)13-2-4-14(19)5-3-13/h2-5,12H,6-11,19H2,1H3
InChIKeyWJFHYIUDCLCLSL-UHFFFAOYSA-N
XLogP2.02
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline?
The IUPAC name of 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline (CID 67506451) is 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline.
What is the SMILES notation for 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline?
The canonical SMILES for 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline is CC1COCCN1c1nc(-c2ccc(N)cc2)nc2c1COCC2.
What is the InChIKey of 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline?
The InChIKey is WJFHYIUDCLCLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-10-24-9-7-22(12)18-15-11-23-8-6-16(15)20-17(21-18)13-2-4-14(19)5-3-13/h2-5,12H,6-11,19H2,1H3.
What are the key properties of 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline?
4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline has a molecular weight of 326.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline is sourced from PubChem (CID 67506451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).