4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one

C9H15N3O3 — CID 71218250

IUPAC4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
SMILESC[C@@H](CO)O[C@H](C)n1ccc(N)nc1=O
InChIInChI=1S/C9H15N3O3/c1-6(5-13)15-7(2)12-4-3-8(10)11-9(12)14/h3-4,6-7,13H,5H2,1-2H3,(H2,10,11,14)/t6-,7+/m0/s1
InChIKeyKGTACAPXVRMLMF-NKWVEPMBSA-N
MW213.24 g/mol
LogP-0.26
Rot. Bonds4

About 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one

4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one (PubChem CID 71218250) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
PubChem CID71218250
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
SMILESC[C@@H](CO)O[C@H](C)n1ccc(N)nc1=O
InChIInChI=1S/C9H15N3O3/c1-6(5-13)15-7(2)12-4-3-8(10)11-9(12)14/h3-4,6-7,13H,5H2,1-2H3,(H2,10,11,14)/t6-,7+/m0/s1
InChIKeyKGTACAPXVRMLMF-NKWVEPMBSA-N
XLogP-0.26
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70991882
CID 144985274
CID 144985274
4-amino-1-[1-[(2S)-4-hydroxy-1,3-dimethoxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 173465411
4-amino-1-[1-[(3R,4R)-4,5-dihydroxyhexan-3-yl]oxyethyl]pyrimidin-2-one
CID 71212015
[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate
CID 70998723
4-amino-1-[1-[(2S)-1,4-dihydroxy-3-(2-methoxyhydrazinyl)-3-methylbutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70973153
4-amino-1-[(1R,2R,3S)-1,4-dihydroxy-3-methoxy-2-methylbutyl]pyrimidin-2-one
CID 129301976
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropanal
CID 170585290
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
CID 129301961
4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one
CID 71171636

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one (CID 71218250) is 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one is C[C@@H](CO)O[C@H](C)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one?
The InChIKey is KGTACAPXVRMLMF-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(5-13)15-7(2)12-4-3-8(10)11-9(12)14/h3-4,6-7,13H,5H2,1-2H3,(H2,10,11,14)/t6-,7+/m0/s1.
What are the key properties of 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one?
4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one has a molecular weight of 213.24 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one is sourced from PubChem (CID 71218250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).