(2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine

C17H20N4O2 — CID 71656990

IUPAC(2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine
SMILESCC(C)Oc1ncc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12
InChIInChI=1S/C17H20N4O2/c1-10(2)23-17-19-8-13-12-7-11(15-9-18-5-6-22-15)3-4-14(12)20-16(13)21-17/h3-4,7-8,10,15,18H,5-6,9H2,1-2H3,(H,19,20,21)/t15-/m1/s1
InChIKeyOGYSIDKHHXGNCH-OAHLLOKOSA-N
MW312.37 g/mol
LogP2.56
Rot. Bonds3

About (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine

(2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine (PubChem CID 71656990) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine
PubChem CID71656990
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine
SMILESCC(C)Oc1ncc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12
InChIInChI=1S/C17H20N4O2/c1-10(2)23-17-19-8-13-12-7-11(15-9-18-5-6-22-15)3-4-14(12)20-16(13)21-17/h3-4,7-8,10,15,18H,5-6,9H2,1-2H3,(H,19,20,21)/t15-/m1/s1
InChIKeyOGYSIDKHHXGNCH-OAHLLOKOSA-N
XLogP2.56
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine?
The IUPAC name of (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine (CID 71656990) is (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine.
What is the SMILES notation for (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine?
The canonical SMILES for (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine is CC(C)Oc1ncc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12.
What is the InChIKey of (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine?
The InChIKey is OGYSIDKHHXGNCH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(2)23-17-19-8-13-12-7-11(15-9-18-5-6-22-15)3-4-14(12)20-16(13)21-17/h3-4,7-8,10,15,18H,5-6,9H2,1-2H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine?
(2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine has a molecular weight of 312.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine is sourced from PubChem (CID 71656990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).