(7Z)-9H-pyrimido[4,5-b][1,5]oxazocine

C8H7N3O — CID 87724480

IUPAC(7Z)-9H-pyrimido[4,5-b][1,5]oxazocine
SMILESC1=C\N=C/c2cncnc2OC/1
InChIInChI=1S/C8H7N3O/c1-2-9-4-7-5-10-6-11-8(7)12-3-1/h1-2,4-6H,3H2/b2-1-,9-4-
InChIKeyQESDAISWQPGRPL-PYXIRFKBSA-N
MW161.16 g/mol
LogP0.80
Rot. Bonds

About (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine

(7Z)-9H-pyrimido[4,5-b][1,5]oxazocine (PubChem CID 87724480) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine.

Molecular Properties

Compound Name(7Z)-9H-pyrimido[4,5-b][1,5]oxazocine
PubChem CID87724480
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name(7Z)-9H-pyrimido[4,5-b][1,5]oxazocine
SMILESC1=C\N=C/c2cncnc2OC/1
InChIInChI=1S/C8H7N3O/c1-2-9-4-7-5-10-6-11-8(7)12-3-1/h1-2,4-6H,3H2/b2-1-,9-4-
InChIKeyQESDAISWQPGRPL-PYXIRFKBSA-N
XLogP0.80
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
Bis-Pro-5FU
CID 155118873
2,4-Diethoxypyrimidine
CID 224854
4-Methoxypyrimidine
CID 303830
Pyrimidine, 2-amino-4-(2-dimethylaminoethoxy)-
CID 3025154
5-Ethynyl-2,4-dimethoxypyrimidine
CID 5273946
Pyrimidine, 4-isopropoxy-2-methyl-
CID 21630681
2-Chloro-4-ethoxypyrimidine
CID 4737280

Frequently Asked Questions

What is the IUPAC name of (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine?
The IUPAC name of (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine (CID 87724480) is (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine.
What is the SMILES notation for (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine?
The canonical SMILES for (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine is C1=C\N=C/c2cncnc2OC/1.
What is the InChIKey of (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine?
The InChIKey is QESDAISWQPGRPL-PYXIRFKBSA-N. The full InChI is InChI=1S/C8H7N3O/c1-2-9-4-7-5-10-6-11-8(7)12-3-1/h1-2,4-6H,3H2/b2-1-,9-4-.
What are the key properties of (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine?
(7Z)-9H-pyrimido[4,5-b][1,5]oxazocine has a molecular weight of 161.16 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-9H-pyrimido[4,5-b][1,5]oxazocine is sourced from PubChem (CID 87724480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).