6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C11H19N3O3 — CID 83176702

IUPAC6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(CCO)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H19N3O3/c1-8(4-5-15)12-7-9-6-10(16)14(3)11(17)13(9)2/h6,8,12,15H,4-5,7H2,1-3H3
InChIKeyPJQQGGMXTZMSEU-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.06
Rot. Bonds5

About 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 83176702) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID83176702
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(CCO)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H19N3O3/c1-8(4-5-15)12-7-9-6-10(16)14(3)11(17)13(9)2/h6,8,12,15H,4-5,7H2,1-3H3
InChIKeyPJQQGGMXTZMSEU-UHFFFAOYSA-N
XLogP-1.06
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 83176702) is 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is CC(CCO)NCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PJQQGGMXTZMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(4-5-15)12-7-9-6-10(16)14(3)11(17)13(9)2/h6,8,12,15H,4-5,7H2,1-3H3.
What are the key properties of 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 83176702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).