4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine

C16H21ClN6O2S — CID 172797921

IUPAC4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine
SMILESCCSc1nc(Cl)c2nc(N3CCOCC3)c(N3CCOCC3)nc2n1
InChIInChI=1S/C16H21ClN6O2S/c1-2-26-16-19-12(17)11-13(21-16)20-15(23-5-9-25-10-6-23)14(18-11)22-3-7-24-8-4-22/h2-10H2,1H3
InChIKeyQLQCEEFUPGQDFD-UHFFFAOYSA-N
MW396.90 g/mol
LogP1.86
Rot. Bonds4

About 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine

4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine (PubChem CID 172797921) has the molecular formula C16H21ClN6O2S and a molecular weight of 396.90 g/mol. Its IUPAC name is 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine
PubChem CID172797921
Molecular FormulaC16H21ClN6O2S
Molecular Weight396.90 g/mol
Exact Mass396.11
IUPAC Name4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine
SMILESCCSc1nc(Cl)c2nc(N3CCOCC3)c(N3CCOCC3)nc2n1
InChIInChI=1S/C16H21ClN6O2S/c1-2-26-16-19-12(17)11-13(21-16)20-15(23-5-9-25-10-6-23)14(18-11)22-3-7-24-8-4-22/h2-10H2,1H3
InChIKeyQLQCEEFUPGQDFD-UHFFFAOYSA-N
XLogP1.86
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62866324
2-ethylsulfanyl-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CID 100514983
4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 166128540
4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
CID 168921312
4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine
CID 102286122
4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62867376
4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine
CID 174159301
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201991
(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methanol
CID 58439142
4-(6-chloro-3-iodopyrazin-2-yl)morpholine
CID 165356549

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine?
The IUPAC name of 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine (CID 172797921) is 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine?
The canonical SMILES for 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine is CCSc1nc(Cl)c2nc(N3CCOCC3)c(N3CCOCC3)nc2n1.
What is the InChIKey of 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine?
The InChIKey is QLQCEEFUPGQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O2S/c1-2-26-16-19-12(17)11-13(21-16)20-15(23-5-9-25-10-6-23)14(18-11)22-3-7-24-8-4-22/h2-10H2,1H3.
What are the key properties of 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine?
4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine has a molecular weight of 396.90 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine is sourced from PubChem (CID 172797921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).