1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol

C11H19N3O — CID 66040374

IUPAC1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol
SMILESCC(C)CNCC(C)(O)c1cncnc1
InChIInChI=1S/C11H19N3O/c1-9(2)4-12-7-11(3,15)10-5-13-8-14-6-10/h5-6,8-9,12,15H,4,7H2,1-3H3
InChIKeyXBGDAUBJDXRMMG-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.93
Rot. Bonds5

About 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol

1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol (PubChem CID 66040374) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol
PubChem CID66040374
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol
SMILESCC(C)CNCC(C)(O)c1cncnc1
InChIInChI=1S/C11H19N3O/c1-9(2)4-12-7-11(3,15)10-5-13-8-14-6-10/h5-6,8-9,12,15H,4,7H2,1-3H3
InChIKeyXBGDAUBJDXRMMG-UHFFFAOYSA-N
XLogP0.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol (CID 66040374) is 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol is CC(C)CNCC(C)(O)c1cncnc1.
What is the InChIKey of 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol?
The InChIKey is XBGDAUBJDXRMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)4-12-7-11(3,15)10-5-13-8-14-6-10/h5-6,8-9,12,15H,4,7H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol?
1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol is sourced from PubChem (CID 66040374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).