3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

C9H15N3O — CID 131050174

IUPAC3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)(CN)C(O)c1cncnc1
InChIInChI=1S/C9H15N3O/c1-9(2,5-10)8(13)7-3-11-6-12-4-7/h3-4,6,8,13H,5,10H2,1-2H3
InChIKeyIXWDEQBYZGSZPQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.49
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 131050174) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
PubChem CID131050174
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)(CN)C(O)c1cncnc1
InChIInChI=1S/C9H15N3O/c1-9(2,5-10)8(13)7-3-11-6-12-4-7/h3-4,6,8,13H,5,10H2,1-2H3
InChIKeyIXWDEQBYZGSZPQ-UHFFFAOYSA-N
XLogP0.49
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol (CID 131050174) is 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol is CC(C)(CN)C(O)c1cncnc1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is IXWDEQBYZGSZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,5-10)8(13)7-3-11-6-12-4-7/h3-4,6,8,13H,5,10H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 131050174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).