(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol

C7H11N3O — CID 97304087

IUPAC(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol
SMILESN[C@H](CO)Cc1ccncn1
InChIInChI=1S/C7H11N3O/c8-6(4-11)3-7-1-2-9-5-10-7/h1-2,5-6,11H,3-4,8H2/t6-/m0/s1
InChIKeyPDNNJDRADQGDJQ-LURJTMIESA-N
MW153.19 g/mol
LogP-0.66
Rot. Bonds3

About (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol

(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol (PubChem CID 97304087) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol
PubChem CID97304087
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol
SMILESN[C@H](CO)Cc1ccncn1
InChIInChI=1S/C7H11N3O/c8-6(4-11)3-7-1-2-9-5-10-7/h1-2,5-6,11H,3-4,8H2/t6-/m0/s1
InChIKeyPDNNJDRADQGDJQ-LURJTMIESA-N
XLogP-0.66
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 ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol?
The IUPAC name of (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol (CID 97304087) is (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol?
The canonical SMILES for (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol is N[C@H](CO)Cc1ccncn1.
What is the InChIKey of (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol?
The InChIKey is PDNNJDRADQGDJQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3O/c8-6(4-11)3-7-1-2-9-5-10-7/h1-2,5-6,11H,3-4,8H2/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol?
(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol has a molecular weight of 153.19 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol is sourced from PubChem (CID 97304087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).