1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one

C7H11N3O2 — CID 30077824

IUPAC1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one
SMILESNC[C@@H](O)Cn1cccnc1=O
InChIInChI=1S/C7H11N3O2/c8-4-6(11)5-10-3-1-2-9-7(10)12/h1-3,6,11H,4-5,8H2/t6-/m1/s1
InChIKeyDOJAOTVTXQPLAV-ZCFIWIBFSA-N
MW169.18 g/mol
LogP-1.44
Rot. Bonds3

About 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one

1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one (PubChem CID 30077824) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one
PubChem CID30077824
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one
SMILESNC[C@@H](O)Cn1cccnc1=O
InChIInChI=1S/C7H11N3O2/c8-4-6(11)5-10-3-1-2-9-7(10)12/h1-3,6,11H,4-5,8H2/t6-/m1/s1
InChIKeyDOJAOTVTXQPLAV-ZCFIWIBFSA-N
XLogP-1.44
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Hydroxyethyl)-2-pyrimidinone
CID 43509828
N-2-hydroxypropyl-pyrimidinone
CID 60878763
1-(3-Fluoro-2-hydroxypropyl)-1,2-dihydropyrimidin-2-one
CID 165606267
N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide
CID 158640583
2-amino-2-(2H-pyrimidin-1-yl)ethanol
CID 174708739
2-aminoethanol;1H-pyrimidin-2-one
CID 175902876
4-Amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one
CID 10464996
1-(3-Amino-2-hydroxypropyl)pyrimidin-2-one
CID 16784985
1-[3-(Cyclopropylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165930
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-2-one
CID 43165931
1-[2-Hydroxy-3-(propylamino)propyl]pyrimidin-2-one
CID 43165932
1-[3-(Ethylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165933

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one?
The IUPAC name of 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one (CID 30077824) is 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one?
The canonical SMILES for 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one is NC[C@@H](O)Cn1cccnc1=O.
What is the InChIKey of 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one?
The InChIKey is DOJAOTVTXQPLAV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-4-6(11)5-10-3-1-2-9-7(10)12/h1-3,6,11H,4-5,8H2/t6-/m1/s1.
What are the key properties of 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one?
1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one has a molecular weight of 169.18 g/mol, XLogP of -1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one is sourced from PubChem (CID 30077824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).