7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

C11H16N4O — CID 66212475

IUPAC7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCc1nccc(NC2C(N)C3CCOC32)n1
InChIInChI=1S/C11H16N4O/c1-6-13-4-2-8(14-6)15-10-9(12)7-3-5-16-11(7)10/h2,4,7,9-11H,3,5,12H2,1H3,(H,13,14,15)
InChIKeyVFZUEKLXJIQABT-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.31
Rot. Bonds2

About 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 66212475) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID66212475
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCc1nccc(NC2C(N)C3CCOC32)n1
InChIInChI=1S/C11H16N4O/c1-6-13-4-2-8(14-6)15-10-9(12)7-3-5-16-11(7)10/h2,4,7,9-11H,3,5,12H2,1H3,(H,13,14,15)
InChIKeyVFZUEKLXJIQABT-UHFFFAOYSA-N
XLogP0.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-N-(2,6-dimethylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66210541
7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66195571
7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66195566
8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211179
7-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66211121
8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211559
7-N-[5-(trifluoromethyl)-2-pyridinyl]-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66211893
2-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 103889221
5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile
CID 66212091
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]quinoline-4-carbonitrile
CID 66211507
8-N-[6-(trifluoromethyl)-2-pyridinyl]-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211939

Frequently Asked Questions

What is the IUPAC name of 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 66212475) is 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is Cc1nccc(NC2C(N)C3CCOC32)n1.
What is the InChIKey of 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is VFZUEKLXJIQABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-6-13-4-2-8(14-6)15-10-9(12)7-3-5-16-11(7)10/h2,4,7,9-11H,3,5,12H2,1H3,(H,13,14,15).
What are the key properties of 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 66212475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).