2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol

C11H16N4O — CID 134284656

IUPAC2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol
SMILESCc1nc(N2CCC2)nc(N2CCC2)c1O
InChIInChI=1S/C11H16N4O/c1-8-9(16)10(14-4-2-5-14)13-11(12-8)15-6-3-7-15/h16H,2-7H2,1H3
InChIKeyLJWAJPFBVHOEHO-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.91
Rot. Bonds2

About 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol

2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol (PubChem CID 134284656) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol.

Molecular Properties

Compound Name2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol
PubChem CID134284656
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol
SMILESCc1nc(N2CCC2)nc(N2CCC2)c1O
InChIInChI=1S/C11H16N4O/c1-8-9(16)10(14-4-2-5-14)13-11(12-8)15-6-3-7-15/h16H,2-7H2,1H3
InChIKeyLJWAJPFBVHOEHO-UHFFFAOYSA-N
XLogP0.91
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol?
The IUPAC name of 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol (CID 134284656) is 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol.
What is the SMILES notation for 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol?
The canonical SMILES for 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol is Cc1nc(N2CCC2)nc(N2CCC2)c1O.
What is the InChIKey of 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol?
The InChIKey is LJWAJPFBVHOEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-9(16)10(14-4-2-5-14)13-11(12-8)15-6-3-7-15/h16H,2-7H2,1H3.
What are the key properties of 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol?
2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol has a molecular weight of 220.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol is sourced from PubChem (CID 134284656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).