4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine

C14H13ClN4S — CID 949145

IUPAC4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
SMILESClc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1
InChIInChI=1S/C14H13ClN4S/c15-9-1-2-11-10(7-9)12-13(18-11)14(17-8-16-12)19-3-5-20-6-4-19/h1-2,7-8,18H,3-6H2
InChIKeyLEVCMRYLJFGOGA-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.32
Rot. Bonds1

About 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine

4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine (PubChem CID 949145) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
PubChem CID949145
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
SMILESClc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1
InChIInChI=1S/C14H13ClN4S/c15-9-1-2-11-10(7-9)12-13(18-11)14(17-8-16-12)19-3-5-20-6-4-19/h1-2,7-8,18H,3-6H2
InChIKeyLEVCMRYLJFGOGA-UHFFFAOYSA-N
XLogP3.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
The IUPAC name of 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine (CID 949145) is 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine.
What is the SMILES notation for 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
The canonical SMILES for 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine is Clc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1.
What is the InChIKey of 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
The InChIKey is LEVCMRYLJFGOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c15-9-1-2-11-10(7-9)12-13(18-11)14(17-8-16-12)19-3-5-20-6-4-19/h1-2,7-8,18H,3-6H2.
What are the key properties of 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine has a molecular weight of 304.81 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine is sourced from PubChem (CID 949145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).