1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione

C13H14N6O3 — CID 67054520

IUPAC1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione
SMILESCOCCc1ccnc(N)c1-n1c(=O)[nH]c2nc[nH]c2c1=O
InChIInChI=1S/C13H14N6O3/c1-22-5-3-7-2-4-15-10(14)9(7)19-12(20)8-11(17-6-16-8)18-13(19)21/h2,4,6H,3,5H2,1H3,(H2,14,15)(H,16,17)(H,18,21)
InChIKeyXQGVHGWVRDLPQZ-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.43
Rot. Bonds4

About 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione

1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione (PubChem CID 67054520) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione
PubChem CID67054520
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione
SMILESCOCCc1ccnc(N)c1-n1c(=O)[nH]c2nc[nH]c2c1=O
InChIInChI=1S/C13H14N6O3/c1-22-5-3-7-2-4-15-10(14)9(7)19-12(20)8-11(17-6-16-8)18-13(19)21/h2,4,6H,3,5H2,1H3,(H2,14,15)(H,16,17)(H,18,21)
InChIKeyXQGVHGWVRDLPQZ-UHFFFAOYSA-N
XLogP-0.43
TPSA131.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione?
The IUPAC name of 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione (CID 67054520) is 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione is COCCc1ccnc(N)c1-n1c(=O)[nH]c2nc[nH]c2c1=O.
What is the InChIKey of 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione?
The InChIKey is XQGVHGWVRDLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-22-5-3-7-2-4-15-10(14)9(7)19-12(20)8-11(17-6-16-8)18-13(19)21/h2,4,6H,3,5H2,1H3,(H2,14,15)(H,16,17)(H,18,21).
What are the key properties of 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione?
1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione has a molecular weight of 302.29 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(2-methoxyethyl)-3-pyridinyl]-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 67054520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).