(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine

C11H15ClN4O — CID 86663151

IUPAC(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2c1CNC2
InChIInChI=1S/C11H15ClN4O/c1-7-6-17-3-2-16(7)10-8-4-13-5-9(8)14-11(12)15-10/h7,13H,2-6H2,1H3/t7-/m0/s1
InChIKeyQDSKTWUMVNYPBE-ZETCQYMHSA-N
MW254.72 g/mol
LogP0.96
Rot. Bonds1

About (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine

(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine (PubChem CID 86663151) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
PubChem CID86663151
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2c1CNC2
InChIInChI=1S/C11H15ClN4O/c1-7-6-17-3-2-16(7)10-8-4-13-5-9(8)14-11(12)15-10/h7,13H,2-6H2,1H3/t7-/m0/s1
InChIKeyQDSKTWUMVNYPBE-ZETCQYMHSA-N
XLogP0.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine with MolForge

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Related Compounds

4-N-butyl-6-methyl-5-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-2,4-diamine
CID 135271040
2-{2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]ethoxy}ethanol
CID 56906444
6-(Morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67052719
4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine trifluoroacetate
CID 86663163
4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
CID 114739810
4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
CID 114739896
2-cyclopentyl-N-methyl-N-(2-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56902307
(3S)-4-(2-chloro-6-ethyl-7,7-dimethyl-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59239235
4-Chloro-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 59244529
4-(4-Methyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 59244553
4-(4,7-Dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 59244839
4-(4-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 59244960

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine (CID 86663151) is (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine is C[C@H]1COCCN1c1nc(Cl)nc2c1CNC2.
What is the InChIKey of (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine?
The InChIKey is QDSKTWUMVNYPBE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7-6-17-3-2-16(7)10-8-4-13-5-9(8)14-11(12)15-10/h7,13H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine?
(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine has a molecular weight of 254.72 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 86663151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).