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

C18H24ClN5O2 — CID 143429731

IUPAC6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane
SMILESCC.COc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c(OC)c1C
InChIInChI=1S/C16H18ClN5O2.C2H6/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;1-2/h5,7H,6H2,1-4H3,(H2,18,20,21);1-2H3
InChIKeyCRQOERRIKVRUEI-UHFFFAOYSA-N
MW377.88 g/mol
LogP3.77
Rot. Bonds4

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

6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane (PubChem CID 143429731) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane.

Molecular Properties

Compound Name6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane
PubChem CID143429731
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane
SMILESCC.COc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c(OC)c1C
InChIInChI=1S/C16H18ClN5O2.C2H6/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;1-2/h5,7H,6H2,1-4H3,(H2,18,20,21);1-2H3
InChIKeyCRQOERRIKVRUEI-UHFFFAOYSA-N
XLogP3.77
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.77
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
CID 143429732
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;ethane?
The IUPAC name of 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane (CID 143429731) is 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane.
What is the SMILES notation for 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane?
The canonical SMILES for 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane is CC.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;ethane?
The InChIKey is CRQOERRIKVRUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2.C2H6/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;1-2/h5,7H,6H2,1-4H3,(H2,18,20,21);1-2H3.
What are the key properties of 6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane?
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane has a molecular weight of 377.88 g/mol, XLogP of 3.77, 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;ethane is sourced from PubChem (CID 143429731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).