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

C8H11N5O — CID 12517703

IUPAC6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
SMILESCC1=Nc2c(N)nc(N)nc2OC1C
InChIInChI=1S/C8H11N5O/c1-3-4(2)14-7-5(11-3)6(9)12-8(10)13-7/h4H,1-2H3,(H4,9,10,12,13)
InChIKeyPXCKFOQYZUJELZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.51
Rot. Bonds

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

6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine (PubChem CID 12517703) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
PubChem CID12517703
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
SMILESCC1=Nc2c(N)nc(N)nc2OC1C
InChIInChI=1S/C8H11N5O/c1-3-4(2)14-7-5(11-3)6(9)12-8(10)13-7/h4H,1-2H3,(H4,9,10,12,13)
InChIKeyPXCKFOQYZUJELZ-UHFFFAOYSA-N
XLogP0.51
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine?
The IUPAC name of 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine (CID 12517703) is 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine.
What is the SMILES notation for 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine?
The canonical SMILES for 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine is CC1=Nc2c(N)nc(N)nc2OC1C.
What is the InChIKey of 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine?
The InChIKey is PXCKFOQYZUJELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-3-4(2)14-7-5(11-3)6(9)12-8(10)13-7/h4H,1-2H3,(H4,9,10,12,13).
What are the key properties of 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine?
6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine has a molecular weight of 193.21 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine is sourced from PubChem (CID 12517703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).