5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C10H17N3O3 — CID 43499503

IUPAC5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(CO)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O3/c1-7(6-14)11-4-8-5-12(2)10(16)13(3)9(8)15/h5,7,11,14H,4,6H2,1-3H3
InChIKeyLYFXAAJSCTXAFO-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.45
Rot. Bonds4

About 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43499503) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43499503
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(CO)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O3/c1-7(6-14)11-4-8-5-12(2)10(16)13(3)9(8)15/h5,7,11,14H,4,6H2,1-3H3
InChIKeyLYFXAAJSCTXAFO-UHFFFAOYSA-N
XLogP-1.45
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43499503) is 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is CC(CO)NCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LYFXAAJSCTXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(6-14)11-4-8-5-12(2)10(16)13(3)9(8)15/h5,7,11,14H,4,6H2,1-3H3.
What are the key properties of 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 227.26 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxypropan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43499503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).