4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine

C11H16N4OS — CID 117101498

IUPAC4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
SMILESCSc1nc2c(c(N3CCOCC3)n1)CNC2
InChIInChI=1S/C11H16N4OS/c1-17-11-13-9-7-12-6-8(9)10(14-11)15-2-4-16-5-3-15/h12H,2-7H2,1H3
InChIKeyJVHPXDKWUCDNOG-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.64
Rot. Bonds2

About 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine

4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine (PubChem CID 117101498) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
PubChem CID117101498
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
SMILESCSc1nc2c(c(N3CCOCC3)n1)CNC2
InChIInChI=1S/C11H16N4OS/c1-17-11-13-9-7-12-6-8(9)10(14-11)15-2-4-16-5-3-15/h12H,2-7H2,1H3
InChIKeyJVHPXDKWUCDNOG-UHFFFAOYSA-N
XLogP0.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102036
4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 83863076
2-trimethylsilylethyl 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 157023469
4-(2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 155124616
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane
CID 177061372
[4-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]methanesulfinic acid
CID 174623074
4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine
CID 102286122
2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
CID 28905472
4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155809027
7-methyl-2-methylsulfanyl-4-(1,4-oxazepan-4-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 171650795
ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate
CID 168654698

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine (CID 117101498) is 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine is CSc1nc2c(c(N3CCOCC3)n1)CNC2.
What is the InChIKey of 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is JVHPXDKWUCDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-17-11-13-9-7-12-6-8(9)10(14-11)15-2-4-16-5-3-15/h12H,2-7H2,1H3.
What are the key properties of 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine?
4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 252.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 117101498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).