1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione

C10H15N3O5 — CID 143719515

IUPAC1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione
SMILESCOC(CN=O)CC(O)n1c(C)cc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-6-3-8(14)12-10(16)13(6)9(15)4-7(18-2)5-11-17/h3,7,9,15H,4-5H2,1-2H3,(H,12,14,16)
InChIKeyAVACNORTUCPEMK-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.49
Rot. Bonds6

About 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione

1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione (PubChem CID 143719515) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione
PubChem CID143719515
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione
SMILESCOC(CN=O)CC(O)n1c(C)cc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-6-3-8(14)12-10(16)13(6)9(15)4-7(18-2)5-11-17/h3,7,9,15H,4-5H2,1-2H3,(H,12,14,16)
InChIKeyAVACNORTUCPEMK-UHFFFAOYSA-N
XLogP-0.49
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-butan-2-yl-6-methylpyrimidine-2,4-dione
CID 67797198
1-[(E,3S)-3,4-dihydroxybut-1-enyl]-6-methylpyrimidine-2,4-dione
CID 101467413
(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
CID 145045789
6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione
CID 43372265
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxypentyl] thiolane-2-carboxylate
CID 178006585
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 89260428
1-[(E,2Z)-2-(1-fluoroethylidene)-3-(trifluoromethyl)hex-3-enyl]-6-methylpyrimidine-2,4-dione
CID 155729290
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
6-(6-methyl-2,4-dioxopyrimidin-1-yl)hexyl 2-ethyl-2,4-dimethylpentanoate
CID 170126642
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione
CID 54013042

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione (CID 143719515) is 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione is COC(CN=O)CC(O)n1c(C)cc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is AVACNORTUCPEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-6-3-8(14)12-10(16)13(6)9(15)4-7(18-2)5-11-17/h3,7,9,15H,4-5H2,1-2H3,(H,12,14,16).
What are the key properties of 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione?
1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methoxy-4-nitrosobutyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 143719515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).