4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one

C7H11N3O3 — CID 136956915

IUPAC4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(O)CO)nc[nH]1
InChIInChI=1S/C7H11N3O3/c11-3-5(12)2-8-6-1-7(13)10-4-9-6/h1,4-5,11-12H,2-3H2,(H2,8,9,10,13)
InChIKeyFRXCEVYQWLFGLT-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.47
Rot. Bonds4

About 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one

4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136956915) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136956915
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(O)CO)nc[nH]1
InChIInChI=1S/C7H11N3O3/c11-3-5(12)2-8-6-1-7(13)10-4-9-6/h1,4-5,11-12H,2-3H2,(H2,8,9,10,13)
InChIKeyFRXCEVYQWLFGLT-UHFFFAOYSA-N
XLogP-1.47
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790769
4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790780
4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849687
2-Amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 163296378
2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063051
2-amino-1-[(2S)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063085
2-Amino-6-(2-hydroxypropylamino)-3-methylpyrimidin-4-one
CID 130626255
2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 135451137
4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730527
4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766527
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783253

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (CID 136956915) is 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is O=c1cc(NCC(O)CO)nc[nH]1.
What is the InChIKey of 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is FRXCEVYQWLFGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-3-5(12)2-8-6-1-7(13)10-4-9-6/h1,4-5,11-12H,2-3H2,(H2,8,9,10,13).
What are the key properties of 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 185.18 g/mol, XLogP of -1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).