6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine

C15H17ClN6O2 — CID 142778742

IUPAC6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine
SMILESCCCOc1c(C)cnc(On2cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H17ClN6O2/c1-4-5-23-11-8(2)6-18-14(9(11)3)24-22-7-19-10-12(16)20-15(17)21-13(10)22/h6-7H,4-5H2,1-3H3,(H2,17,20,21)
InChIKeyRPQPNRCUKDSEHX-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.70
Rot. Bonds5

About 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine

6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine (PubChem CID 142778742) has the molecular formula C15H17ClN6O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine
PubChem CID142778742
Molecular FormulaC15H17ClN6O2
Molecular Weight348.79 g/mol
Exact Mass348.11
IUPAC Name6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine
SMILESCCCOc1c(C)cnc(On2cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H17ClN6O2/c1-4-5-23-11-8(2)6-18-14(9(11)3)24-22-7-19-10-12(16)20-15(17)21-13(10)22/h6-7H,4-5H2,1-3H3,(H2,17,20,21)
InChIKeyRPQPNRCUKDSEHX-UHFFFAOYSA-N
XLogP2.70
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine with MolForge

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Related Compounds

6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
6-chloro-9-[2-(dipropoxyphosphorylmethoxy)ethyl]purin-2-amine
CID 89383791
6-chloro-9-pentylpurin-2-amine
CID 139201177
4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
CID 143021211
6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
CID 89371902
(2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone
CID 141225946
6-chloro-9-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]purin-2-amine
CID 16736528
5-methyl-4-propoxypyrimidin-2-amine
CID 80864998
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine
CID 143429732
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane
CID 143429731
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
CID 24784386
6-chloro-9-[(E)-prop-1-enyl]purin-2-amine
CID 71615634

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine?
The IUPAC name of 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine (CID 142778742) is 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine is CCCOc1c(C)cnc(On2cnc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine?
The InChIKey is RPQPNRCUKDSEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O2/c1-4-5-23-11-8(2)6-18-14(9(11)3)24-22-7-19-10-12(16)20-15(17)21-13(10)22/h6-7H,4-5H2,1-3H3,(H2,17,20,21).
What are the key properties of 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine?
6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine has a molecular weight of 348.79 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine is sourced from PubChem (CID 142778742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).