2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine

C17H20N4O — CID 5222134

IUPAC2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
SMILESCc1ccc2c(c1)[nH]c1c(N3CC(C)OC(C)C3)ncnc12
InChIInChI=1S/C17H20N4O/c1-10-4-5-13-14(6-10)20-16-15(13)18-9-19-17(16)21-7-11(2)22-12(3)8-21/h4-6,9,11-12,20H,7-8H2,1-3H3
InChIKeyMXMRFQOJDQEYHM-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds1

About 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine

2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine (PubChem CID 5222134) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
PubChem CID5222134
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
SMILESCc1ccc2c(c1)[nH]c1c(N3CC(C)OC(C)C3)ncnc12
InChIInChI=1S/C17H20N4O/c1-10-4-5-13-14(6-10)20-16-15(13)18-9-19-17(16)21-7-11(2)22-12(3)8-21/h4-6,9,11-12,20H,7-8H2,1-3H3
InChIKeyMXMRFQOJDQEYHM-UHFFFAOYSA-N
XLogP3.03
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine (CID 5222134) is 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine is Cc1ccc2c(c1)[nH]c1c(N3CC(C)OC(C)C3)ncnc12.
What is the InChIKey of 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine?
The InChIKey is MXMRFQOJDQEYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10-4-5-13-14(6-10)20-16-15(13)18-9-19-17(16)21-7-11(2)22-12(3)8-21/h4-6,9,11-12,20H,7-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine?
2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine has a molecular weight of 296.37 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine is sourced from PubChem (CID 5222134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).