3-amino-1-pyrimidin-4-ylpropan-1-ol

C7H11N3O — CID 79125725

IUPAC3-amino-1-pyrimidin-4-ylpropan-1-ol
SMILESNCCC(O)c1ccncn1
InChIInChI=1S/C7H11N3O/c8-3-1-7(11)6-2-4-9-5-10-6/h2,4-5,7,11H,1,3,8H2
InChIKeyAHEXQGSJEGFNQN-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.14
Rot. Bonds3

About 3-amino-1-pyrimidin-4-ylpropan-1-ol

3-amino-1-pyrimidin-4-ylpropan-1-ol (PubChem CID 79125725) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-amino-1-pyrimidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-pyrimidin-4-ylpropan-1-ol
PubChem CID79125725
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-amino-1-pyrimidin-4-ylpropan-1-ol
SMILESNCCC(O)c1ccncn1
InChIInChI=1S/C7H11N3O/c8-3-1-7(11)6-2-4-9-5-10-6/h2,4-5,7,11H,1,3,8H2
InChIKeyAHEXQGSJEGFNQN-UHFFFAOYSA-N
XLogP-0.14
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyrimidin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-1-pyrimidin-4-ylpropan-1-ol (CID 79125725) is 3-amino-1-pyrimidin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-pyrimidin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-pyrimidin-4-ylpropan-1-ol is NCCC(O)c1ccncn1.
What is the InChIKey of 3-amino-1-pyrimidin-4-ylpropan-1-ol?
The InChIKey is AHEXQGSJEGFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-3-1-7(11)6-2-4-9-5-10-6/h2,4-5,7,11H,1,3,8H2.
What are the key properties of 3-amino-1-pyrimidin-4-ylpropan-1-ol?
3-amino-1-pyrimidin-4-ylpropan-1-ol has a molecular weight of 153.19 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyrimidin-4-ylpropan-1-ol is sourced from PubChem (CID 79125725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).