5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide

C15H16N8O2 — CID 90410574

IUPAC5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCOc1ncncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3
InChIInChI=1S/C15H16N8O2/c1-25-15-10(5-18-7-19-15)21-14(24)11-12(16)22-23-6-8-4-17-3-2-9(8)20-13(11)23/h5-7,17H,2-4H2,1H3,(H2,16,22)(H,21,24)
InChIKeyKSOMEPOUXHCREX-UHFFFAOYSA-N
MW340.35 g/mol
LogP0.01
Rot. Bonds3

About 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide

5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (PubChem CID 90410574) has the molecular formula C15H16N8O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
PubChem CID90410574
Molecular FormulaC15H16N8O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCOc1ncncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3
InChIInChI=1S/C15H16N8O2/c1-25-15-10(5-18-7-19-15)21-14(24)11-12(16)22-23-6-8-4-17-3-2-9(8)20-13(11)23/h5-7,17H,2-4H2,1H3,(H2,16,22)(H,21,24)
InChIKeyKSOMEPOUXHCREX-UHFFFAOYSA-N
XLogP0.01
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The IUPAC name of 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (CID 90410574) is 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is COc1ncncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.
What is the InChIKey of 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The InChIKey is KSOMEPOUXHCREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2/c1-25-15-10(5-18-7-19-15)21-14(24)11-12(16)22-23-6-8-4-17-3-2-9(8)20-13(11)23/h5-7,17H,2-4H2,1H3,(H2,16,22)(H,21,24).
What are the key properties of 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxypyrimidin-5-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 90410574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).