6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C10H15F2N3O3 — CID 114093487

IUPAC6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC(O)C(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C10H15F2N3O3/c1-14-6(3-8(17)15(2)10(14)18)4-13-5-7(16)9(11)12/h3,7,9,13,16H,4-5H2,1-2H3
InChIKeyZZROGXFVABCVSC-UHFFFAOYSA-N
MW263.24 g/mol
LogP-1.20
Rot. Bonds5

About 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 114093487) has the molecular formula C10H15F2N3O3 and a molecular weight of 263.24 g/mol. Its IUPAC name is 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID114093487
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Name6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC(O)C(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C10H15F2N3O3/c1-14-6(3-8(17)15(2)10(14)18)4-13-5-7(16)9(11)12/h3,7,9,13,16H,4-5H2,1-2H3
InChIKeyZZROGXFVABCVSC-UHFFFAOYSA-N
XLogP-1.20
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 114093487) is 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCC(O)C(F)F)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZZROGXFVABCVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-14-6(3-8(17)15(2)10(14)18)4-13-5-7(16)9(11)12/h3,7,9,13,16H,4-5H2,1-2H3.
What are the key properties of 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 263.24 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 114093487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).