9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine

C21H25N5O — CID 18001367

IUPAC9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine
SMILESCCc1nc2c(-c3ccc(OC)nc3C)ncnc2n1C(C1CC1)C1CC1
InChIInChI=1S/C21H25N5O/c1-4-16-25-19-18(15-9-10-17(27-3)24-12(15)2)22-11-23-21(19)26(16)20(13-5-6-13)14-7-8-14/h9-11,13-14,20H,4-8H2,1-3H3
InChIKeyPLKKYIMXYMAERJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.13
Rot. Bonds6

About 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine

9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine (PubChem CID 18001367) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine.

Molecular Properties

Compound Name9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine
PubChem CID18001367
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine
SMILESCCc1nc2c(-c3ccc(OC)nc3C)ncnc2n1C(C1CC1)C1CC1
InChIInChI=1S/C21H25N5O/c1-4-16-25-19-18(15-9-10-17(27-3)24-12(15)2)22-11-23-21(19)26(16)20(13-5-6-13)14-7-8-14/h9-11,13-14,20H,4-8H2,1-3H3
InChIKeyPLKKYIMXYMAERJ-UHFFFAOYSA-N
XLogP4.13
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine?
The IUPAC name of 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine (CID 18001367) is 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine.
What is the SMILES notation for 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine?
The canonical SMILES for 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine is CCc1nc2c(-c3ccc(OC)nc3C)ncnc2n1C(C1CC1)C1CC1.
What is the InChIKey of 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine?
The InChIKey is PLKKYIMXYMAERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-16-25-19-18(15-9-10-17(27-3)24-12(15)2)22-11-23-21(19)26(16)20(13-5-6-13)14-7-8-14/h9-11,13-14,20H,4-8H2,1-3H3.
What are the key properties of 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine?
9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine has a molecular weight of 363.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dicyclopropylmethyl)-8-ethyl-6-(6-methoxy-2-methyl-3-pyridinyl)purine is sourced from PubChem (CID 18001367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).