4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one

C10H17N3O3 — CID 134425665

IUPAC4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
SMILESCOC(CO)CC(C)n1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O3/c1-7(5-8(6-14)16-2)13-4-3-9(11)12-10(13)15/h3-4,7-8,14H,5-6H2,1-2H3,(H2,11,12,15)
InChIKeyLWPUZVDFAMAJCP-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.22
Rot. Bonds5

About 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one

4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one (PubChem CID 134425665) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
PubChem CID134425665
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
SMILESCOC(CO)CC(C)n1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O3/c1-7(5-8(6-14)16-2)13-4-3-9(11)12-10(13)15/h3-4,7-8,14H,5-6H2,1-2H3,(H2,11,12,15)
InChIKeyLWPUZVDFAMAJCP-UHFFFAOYSA-N
XLogP-0.22
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(1R,2R,3S)-1,4-dihydroxy-3-methoxy-2-methylbutyl]pyrimidin-2-one
CID 129301976
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-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
CID 71218250
4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
CID 129301961
4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70991882
4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one
CID 91162664
4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one
CID 71171636
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
4-amino-1-[(1R,3S)-1,4-dihydroxy-3-methoxybutyl]-5-methylpyrimidin-2-one
CID 129301964
4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 57318291
2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropanal
CID 170585290

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one (CID 134425665) is 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one is COC(CO)CC(C)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one?
The InChIKey is LWPUZVDFAMAJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(5-8(6-14)16-2)13-4-3-9(11)12-10(13)15/h3-4,7-8,14H,5-6H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one?
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one has a molecular weight of 227.26 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 134425665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).