4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine

C15H25N5O — CID 70716181

IUPAC4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(c1cc(C)nc(N)n1)C2
InChIInChI=1S/C15H25N5O/c1-11-7-14(18-15(16)17-11)20-9-12-3-4-13(10-20)19(8-12)5-6-21-2/h7,12-13H,3-6,8-10H2,1-2H3,(H2,16,17,18)/t12-,13-/m1/s1
InChIKeyBPDAXNBMZHXTFW-CHWSQXEVSA-N
MW291.40 g/mol
LogP0.91
Rot. Bonds4

About 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine

4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine (PubChem CID 70716181) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine
PubChem CID70716181
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(c1cc(C)nc(N)n1)C2
InChIInChI=1S/C15H25N5O/c1-11-7-14(18-15(16)17-11)20-9-12-3-4-13(10-20)19(8-12)5-6-21-2/h7,12-13H,3-6,8-10H2,1-2H3,(H2,16,17,18)/t12-,13-/m1/s1
InChIKeyBPDAXNBMZHXTFW-CHWSQXEVSA-N
XLogP0.91
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine (CID 70716181) is 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine is COCCN1C[C@H]2CC[C@@H]1CN(c1cc(C)nc(N)n1)C2.
What is the InChIKey of 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine?
The InChIKey is BPDAXNBMZHXTFW-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-7-14(18-15(16)17-11)20-9-12-3-4-13(10-20)19(8-12)5-6-21-2/h7,12-13H,3-6,8-10H2,1-2H3,(H2,16,17,18)/t12-,13-/m1/s1.
What are the key properties of 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine?
4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 70716181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).