4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine

C11H14ClN5O — CID 59806507

IUPAC4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
SMILESCc1nc2c(N3CCOCC3)nc(Cl)nc2n1C
InChIInChI=1S/C11H14ClN5O/c1-7-13-8-9(16(7)2)14-11(12)15-10(8)17-3-5-18-6-4-17/h3-6H2,1-2H3
InChIKeyDTDZSAQMTMXCCV-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.16
Rot. Bonds1

About 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine

4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine (PubChem CID 59806507) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
PubChem CID59806507
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
SMILESCc1nc2c(N3CCOCC3)nc(Cl)nc2n1C
InChIInChI=1S/C11H14ClN5O/c1-7-13-8-9(16(7)2)14-11(12)15-10(8)17-3-5-18-6-4-17/h3-6H2,1-2H3
InChIKeyDTDZSAQMTMXCCV-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-7,8-dimethylpurin-6-yl)morpholine
CID 162379156
4-(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)-2,3-dihydropyrrole-1-carboxylic acid
CID 174232225
4-(2-chloro-9-methyl-8-piperidin-4-yloxypurin-6-yl)morpholine
CID 122502463
4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
CID 168921312
4-[2-chloro-9-methyl-8-[(4-morpholin-4-ylpiperidin-1-yl)methyl]purin-6-yl]morpholine
CID 59603495
4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine
CID 58054337
[4-[(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)methyl]piperazin-1-yl]methanesulfinic acid
CID 174631488
2-[1-[2-(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)ethyl]azetidin-3-yl]propan-2-ol
CID 59605651
2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine
CID 88581828
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methanol
CID 58439142
6-[4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-8,9-dimethylpurine;ethane;oxolane
CID 170615267

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine?
The IUPAC name of 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine (CID 59806507) is 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine?
The canonical SMILES for 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine is Cc1nc2c(N3CCOCC3)nc(Cl)nc2n1C.
What is the InChIKey of 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine?
The InChIKey is DTDZSAQMTMXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-7-13-8-9(16(7)2)14-11(12)15-10(8)17-3-5-18-6-4-17/h3-6H2,1-2H3.
What are the key properties of 4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine?
4-(2-chloro-8,9-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-8,9-dimethylpurin-6-yl)morpholine is sourced from PubChem (CID 59806507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).