6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine

C12H11N5O — CID 12517705

IUPAC6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
SMILESNc1nc(N)c2c(n1)OCC(c1ccccc1)=N2
InChIInChI=1S/C12H11N5O/c13-10-9-11(17-12(14)16-10)18-6-8(15-9)7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,16,17)
InChIKeyALORYUZXJNEMDU-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.15
Rot. Bonds1

About 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine

6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine (PubChem CID 12517705) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine.

Molecular Properties

Compound Name6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
PubChem CID12517705
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
SMILESNc1nc(N)c2c(n1)OCC(c1ccccc1)=N2
InChIInChI=1S/C12H11N5O/c13-10-9-11(17-12(14)16-10)18-6-8(15-9)7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,16,17)
InChIKeyALORYUZXJNEMDU-UHFFFAOYSA-N
XLogP1.15
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Diamino-6-benzyloxy-5-nitrosopyrimidine
CID 181029
6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
CID 9860003
6,7-Dimethyl-4-phenylmethoxypteridin-2-amine
CID 822237
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044
2,6-Diamino-4-(benzyloxy)pyrimidine
CID 10130617
5-Nitroso-6-(4-fluorobenzyloxy)pyrimidine-2,4-diamine
CID 10264728
8-Oxo-Benzylguanine
CID 10422576
6-(Benzyloxy)-5-bromopyrimidine-2,4-diamine
CID 14479617
6-(4-Ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909623
6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909657
6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909701
6-(4-Bromophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909703

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine?
The IUPAC name of 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine (CID 12517705) is 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine.
What is the SMILES notation for 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine?
The canonical SMILES for 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine is Nc1nc(N)c2c(n1)OCC(c1ccccc1)=N2.
What is the InChIKey of 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine?
The InChIKey is ALORYUZXJNEMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-10-9-11(17-12(14)16-10)18-6-8(15-9)7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,16,17).
What are the key properties of 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine?
6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine has a molecular weight of 241.25 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine is sourced from PubChem (CID 12517705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).