2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol

C14H22N4O — CID 134072685

IUPAC2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol
SMILESCC(C)(O)CN1CCC2(CCN2c2ncccn2)C1
InChIInChI=1S/C14H22N4O/c1-13(2,19)10-17-8-4-14(11-17)5-9-18(14)12-15-6-3-7-16-12/h3,6-7,19H,4-5,8-11H2,1-2H3
InChIKeyBGGLOVXTSIQWFH-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.90
Rot. Bonds3

About 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol

2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol (PubChem CID 134072685) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol
PubChem CID134072685
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol
SMILESCC(C)(O)CN1CCC2(CCN2c2ncccn2)C1
InChIInChI=1S/C14H22N4O/c1-13(2,19)10-17-8-4-14(11-17)5-9-18(14)12-15-6-3-7-16-12/h3,6-7,19H,4-5,8-11H2,1-2H3
InChIKeyBGGLOVXTSIQWFH-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol (CID 134072685) is 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol is CC(C)(O)CN1CCC2(CCN2c2ncccn2)C1.
What is the InChIKey of 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol?
The InChIKey is BGGLOVXTSIQWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-13(2,19)10-17-8-4-14(11-17)5-9-18(14)12-15-6-3-7-16-12/h3,6-7,19H,4-5,8-11H2,1-2H3.
What are the key properties of 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol?
2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol has a molecular weight of 262.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol is sourced from PubChem (CID 134072685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).