[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol

C13H20N4O — CID 175849457

IUPAC[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol
SMILESCN1CCC2(CCN(c3nccc(CO)n3)C2)C1
InChIInChI=1S/C13H20N4O/c1-16-6-3-13(9-16)4-7-17(10-13)12-14-5-2-11(8-18)15-12/h2,5,18H,3-4,6-10H2,1H3
InChIKeyCXRXIOPSQXCJKP-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.50
Rot. Bonds2

About [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol

[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol (PubChem CID 175849457) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol
PubChem CID175849457
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol
SMILESCN1CCC2(CCN(c3nccc(CO)n3)C2)C1
InChIInChI=1S/C13H20N4O/c1-16-6-3-13(9-16)4-7-17(10-13)12-14-5-2-11(8-18)15-12/h2,5,18H,3-4,6-10H2,1H3
InChIKeyCXRXIOPSQXCJKP-UHFFFAOYSA-N
XLogP0.50
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol (CID 175849457) is [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol is CN1CCC2(CCN(c3nccc(CO)n3)C2)C1.
What is the InChIKey of [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol?
The InChIKey is CXRXIOPSQXCJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-6-3-13(9-16)4-7-17(10-13)12-14-5-2-11(8-18)15-12/h2,5,18H,3-4,6-10H2,1H3.
What are the key properties of [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol?
[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol has a molecular weight of 248.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 175849457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).