5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H23N3O3 — CID 103700931

IUPAC5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)C(CCO)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N3O3/c1-9(2)11(5-6-17)14-7-10-8-15(3)13(19)16(4)12(10)18/h8-9,11,14,17H,5-7H2,1-4H3
InChIKeyOPPSGRUGZVDZMI-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.42
Rot. Bonds6

About 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 103700931) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID103700931
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)C(CCO)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N3O3/c1-9(2)11(5-6-17)14-7-10-8-15(3)13(19)16(4)12(10)18/h8-9,11,14,17H,5-7H2,1-4H3
InChIKeyOPPSGRUGZVDZMI-UHFFFAOYSA-N
XLogP-0.42
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[3-Hydroxy-1-(2-hydroxyethyl)propyl]-5-methyl-pyrimidine-2,4-dione
CID 390867
5-[(3-Hydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28715822
5-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28724672
5-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28724674
5-[[(1-Hydroxy-2-methylpropan-2-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28725608
1,3-Dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione
CID 43131235
5-[(1-Hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43207216
1,3-Dimethyl-5-[(4-methylpentan-2-ylamino)methyl]pyrimidine-2,4-dione
CID 43371809
5-[(1-Hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43499503
1,3-Dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione
CID 43609589
N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 54916721
1,3-Dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione
CID 54954846

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 103700931) is 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CC(C)C(CCO)NCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OPPSGRUGZVDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)11(5-6-17)14-7-10-8-15(3)13(19)16(4)12(10)18/h8-9,11,14,17H,5-7H2,1-4H3.
What are the key properties of 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 269.34 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 103700931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).