2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one

C10H14N4O — CID 170263150

IUPAC2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one
SMILESCC1C/C=N\c2c(nc(N)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O/c1-6-2-3-7-8(12-5-4-6)9(15)14-10(11)13-7/h5-6H,2-4H2,1H3,(H3,11,13,14,15)/b12-5-
InChIKeyZBMLUZLGIURYJL-XGICHPGQSA-N
MW206.25 g/mol
LogP1.03
Rot. Bonds

About 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one

2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one (PubChem CID 170263150) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one.

Molecular Properties

Compound Name2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one
PubChem CID170263150
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one
SMILESCC1C/C=N\c2c(nc(N)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O/c1-6-2-3-7-8(12-5-4-6)9(15)14-10(11)13-7/h5-6H,2-4H2,1H3,(H3,11,13,14,15)/b12-5-
InChIKeyZBMLUZLGIURYJL-XGICHPGQSA-N
XLogP1.03
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one?
The IUPAC name of 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one (CID 170263150) is 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one.
What is the SMILES notation for 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one?
The canonical SMILES for 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one is CC1C/C=N\c2c(nc(N)[nH]c2=O)CC1.
What is the InChIKey of 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one?
The InChIKey is ZBMLUZLGIURYJL-XGICHPGQSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6-2-3-7-8(12-5-4-6)9(15)14-10(11)13-7/h5-6H,2-4H2,1H3,(H3,11,13,14,15)/b12-5-.
What are the key properties of 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one?
2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one is sourced from PubChem (CID 170263150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).