4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine

C23H27N5O2 — CID 139330388

IUPAC4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
SMILESCc1nccc(C2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)n1
InChIInChI=1S/C23H27N5O2/c1-16-25-7-6-21(27-16)17-2-4-19(5-3-17)30-23-13-18(28-8-10-29-11-9-28)12-22-20(23)14-24-15-26-22/h6-7,12-15,17,19H,2-5,8-11H2,1H3
InChIKeyCGYLOGXFLWYVFO-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.67
Rot. Bonds4

About 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine

4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine (PubChem CID 139330388) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
PubChem CID139330388
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
SMILESCc1nccc(C2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)n1
InChIInChI=1S/C23H27N5O2/c1-16-25-7-6-21(27-16)17-2-4-19(5-3-17)30-23-13-18(28-8-10-29-11-9-28)12-22-20(23)14-24-15-26-22/h6-7,12-15,17,19H,2-5,8-11H2,1H3
InChIKeyCGYLOGXFLWYVFO-UHFFFAOYSA-N
XLogP3.67
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine?
The IUPAC name of 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine (CID 139330388) is 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine?
The canonical SMILES for 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine is Cc1nccc(C2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)n1.
What is the InChIKey of 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine?
The InChIKey is CGYLOGXFLWYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-25-7-6-21(27-16)17-2-4-19(5-3-17)30-23-13-18(28-8-10-29-11-9-28)12-22-20(23)14-24-15-26-22/h6-7,12-15,17,19H,2-5,8-11H2,1H3.
What are the key properties of 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine?
4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine has a molecular weight of 405.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine is sourced from PubChem (CID 139330388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).