1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol

C13H23N5O — CID 66902925

IUPAC1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol
SMILESCN(C)CCNc1ccnc(N2CCC(O)CC2)n1
InChIInChI=1S/C13H23N5O/c1-17(2)10-7-14-12-3-6-15-13(16-12)18-8-4-11(19)5-9-18/h3,6,11,19H,4-5,7-10H2,1-2H3,(H,14,15,16)
InChIKeyXYJBOCCXXFYXSQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.41
Rot. Bonds5

About 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol

1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 66902925) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol
PubChem CID66902925
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol
SMILESCN(C)CCNc1ccnc(N2CCC(O)CC2)n1
InChIInChI=1S/C13H23N5O/c1-17(2)10-7-14-12-3-6-15-13(16-12)18-8-4-11(19)5-9-18/h3,6,11,19H,4-5,7-10H2,1-2H3,(H,14,15,16)
InChIKeyXYJBOCCXXFYXSQ-UHFFFAOYSA-N
XLogP0.41
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol (CID 66902925) is 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol is CN(C)CCNc1ccnc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is XYJBOCCXXFYXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17(2)10-7-14-12-3-6-15-13(16-12)18-8-4-11(19)5-9-18/h3,6,11,19H,4-5,7-10H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol?
1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 265.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 66902925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).