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

C11H16Cl2N4O — CID 86663150

IUPAC(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride
SMILESC[C@H]1COCCN1c1nc(Cl)nc2c1CNC2.Cl
InChIInChI=1S/C11H15ClN4O.ClH/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;1H/t7-;/m0./s1
InChIKeyHUOHGWNTJYTKRW-FJXQXJEOSA-N
MW291.18 g/mol
LogP1.38
Rot. Bonds1

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

(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride (PubChem CID 86663150) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride
PubChem CID86663150
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride
SMILESC[C@H]1COCCN1c1nc(Cl)nc2c1CNC2.Cl
InChIInChI=1S/C11H15ClN4O.ClH/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;1H/t7-;/m0./s1
InChIKeyHUOHGWNTJYTKRW-FJXQXJEOSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.38
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;hydrochloride 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
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-(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
Carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium
CID 59244979
4-{5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-yl}morpholine
CID 67542478
1-[2-Amino-4-(4-methylpiperazin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
CID 68573027

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;hydrochloride?
The IUPAC name of (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride (CID 86663150) is (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride.
What is the SMILES notation for (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride?
The canonical SMILES for (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride is C[C@H]1COCCN1c1nc(Cl)nc2c1CNC2.Cl.
What is the InChIKey of (3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride?
The InChIKey is HUOHGWNTJYTKRW-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H15ClN4O.ClH/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;1H/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;hydrochloride?
(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.38, 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;hydrochloride is sourced from PubChem (CID 86663150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).