4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine

C11H14ClN5O — CID 162379156

IUPAC4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine
SMILESCc1nc2nc(Cl)nc(N3CCOCC3)c2n1C
InChIInChI=1S/C11H14ClN5O/c1-7-13-9-8(16(7)2)10(15-11(12)14-9)17-3-5-18-6-4-17/h3-6H2,1-2H3
InChIKeyHETIMNIHHMONQW-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.16
Rot. Bonds1

About 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine

4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine (PubChem CID 162379156) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine
PubChem CID162379156
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine
SMILESCc1nc2nc(Cl)nc(N3CCOCC3)c2n1C
InChIInChI=1S/C11H14ClN5O/c1-7-13-9-8(16(7)2)10(15-11(12)14-9)17-3-5-18-6-4-17/h3-6H2,1-2H3
InChIKeyHETIMNIHHMONQW-UHFFFAOYSA-N
XLogP1.16
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
4-(2-chloro-6-iodo-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine
CID 166155958
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
4-[10-(2-chloro-8-methyl-6-methylsulfanylpurin-7-yl)decyl]morpholine;ethane
CID 155689502
4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100
(7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one
CID 86338948
(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
CID 71299202
4-[16-(2-chloro-8-methyl-6-propan-2-ylsulfanylpurin-7-yl)hexadecyl]morpholine
CID 155689636
4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 86630079
2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane
CID 142498294
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine?
The IUPAC name of 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine (CID 162379156) is 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine?
The canonical SMILES for 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine is Cc1nc2nc(Cl)nc(N3CCOCC3)c2n1C.
What is the InChIKey of 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine?
The InChIKey is HETIMNIHHMONQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-7-13-9-8(16(7)2)10(15-11(12)14-9)17-3-5-18-6-4-17/h3-6H2,1-2H3.
What are the key properties of 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine?
4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine has a molecular weight of 267.72 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine is sourced from PubChem (CID 162379156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).