6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine

C16H18ClN5O2 — CID 143429732

IUPAC6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine
SMILESCOc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c(OC)c1C
InChIInChI=1S/C16H18ClN5O2/c1-8-10(5-11(23-3)9(2)13(8)24-4)6-22-7-19-12-14(17)20-16(18)21-15(12)22/h5,7H,6H2,1-4H3,(H2,18,20,21)
InChIKeyDIGXJEUOZSJPMU-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.74
Rot. Bonds4

About 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine

6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine (PubChem CID 143429732) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine
PubChem CID143429732
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine
SMILESCOc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c(OC)c1C
InChIInChI=1S/C16H18ClN5O2/c1-8-10(5-11(23-3)9(2)13(8)24-4)6-22-7-19-12-14(17)20-16(18)21-15(12)22/h5,7H,6H2,1-4H3,(H2,18,20,21)
InChIKeyDIGXJEUOZSJPMU-UHFFFAOYSA-N
XLogP2.74
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane
CID 143429731
6-bromo-9-[(3,4,5-trimethoxy-2-methylphenyl)methyl]purin-2-amine;ethane
CID 143021258
6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
CID 89371902
6-chloro-9-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]purin-2-amine
CID 16736528
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
CID 143429711
6-chloro-9-[(5-chloro-2,1,3-benzothiadiazol-6-yl)methyl]purin-2-amine
CID 87520351
2,6-dichloro-9-[(4-methoxy-3-methylphenyl)methyl]purine
CID 11151441
6-chloro-9-pentylpurin-2-amine
CID 139201177
6-bromo-9-[(3-chloro-4,5,6-trimethoxy-2-pyridinyl)methyl]purin-2-amine
CID 89338096
4-chloro-7-[(5-methoxy-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 11325088
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
CID 14408836

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine (CID 143429732) is 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine is COc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c(OC)c1C.
What is the InChIKey of 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine?
The InChIKey is DIGXJEUOZSJPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-8-10(5-11(23-3)9(2)13(8)24-4)6-22-7-19-12-14(17)20-16(18)21-15(12)22/h5,7H,6H2,1-4H3,(H2,18,20,21).
What are the key properties of 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine?
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine has a molecular weight of 347.81 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine is sourced from PubChem (CID 143429732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).