2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine

C14H22N4O2 — CID 144820201

IUPAC2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine
SMILESCc1nc2c(c(N3CCOCC3)n1)CCCOCCN2
InChIInChI=1S/C14H22N4O2/c1-11-16-13-12(3-2-7-19-8-4-15-13)14(17-11)18-5-9-20-10-6-18/h2-10H2,1H3,(H,15,16,17)
InChIKeyRQFWJIBRPKDOTO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.00
Rot. Bonds1

About 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine

2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine (PubChem CID 144820201) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine
PubChem CID144820201
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine
SMILESCc1nc2c(c(N3CCOCC3)n1)CCCOCCN2
InChIInChI=1S/C14H22N4O2/c1-11-16-13-12(3-2-7-19-8-4-15-13)14(17-11)18-5-9-20-10-6-18/h2-10H2,1H3,(H,15,16,17)
InChIKeyRQFWJIBRPKDOTO-UHFFFAOYSA-N
XLogP1.00
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine?
The IUPAC name of 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine (CID 144820201) is 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine.
What is the SMILES notation for 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine?
The canonical SMILES for 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine is Cc1nc2c(c(N3CCOCC3)n1)CCCOCCN2.
What is the InChIKey of 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine?
The InChIKey is RQFWJIBRPKDOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-16-13-12(3-2-7-19-8-4-15-13)14(17-11)18-5-9-20-10-6-18/h2-10H2,1H3,(H,15,16,17).
What are the key properties of 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine?
2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine has a molecular weight of 278.36 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine is sourced from PubChem (CID 144820201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).