4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol

C9H15N3O — CID 82408295

IUPAC4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
SMILESCc1nccc(C(O)CCCN)n1
InChIInChI=1S/C9H15N3O/c1-7-11-6-4-8(12-7)9(13)3-2-5-10/h4,6,9,13H,2-3,5,10H2,1H3
InChIKeyVOEIVOSVSNSHIR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.56
Rot. Bonds4

About 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol

4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol (PubChem CID 82408295) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
PubChem CID82408295
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
SMILESCc1nccc(C(O)CCCN)n1
InChIInChI=1S/C9H15N3O/c1-7-11-6-4-8(12-7)9(13)3-2-5-10/h4,6,9,13H,2-3,5,10H2,1H3
InChIKeyVOEIVOSVSNSHIR-UHFFFAOYSA-N
XLogP0.56
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol (CID 82408295) is 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol is Cc1nccc(C(O)CCCN)n1.
What is the InChIKey of 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol?
The InChIKey is VOEIVOSVSNSHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-11-6-4-8(12-7)9(13)3-2-5-10/h4,6,9,13H,2-3,5,10H2,1H3.
What are the key properties of 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol?
4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol is sourced from PubChem (CID 82408295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).