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

C10H17N3O4 — CID 66170573

IUPAC6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC(O)CO)cc(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O4/c1-12-7(4-11-5-8(15)6-14)3-9(16)13(2)10(12)17/h3,8,11,14-15H,4-6H2,1-2H3
InChIKeyHYLZADJLOGWULX-UHFFFAOYSA-N
MW243.26 g/mol
LogP-2.47
Rot. Bonds5

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

6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 66170573) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID66170573
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC(O)CO)cc(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O4/c1-12-7(4-11-5-8(15)6-14)3-9(16)13(2)10(12)17/h3,8,11,14-15H,4-6H2,1-2H3
InChIKeyHYLZADJLOGWULX-UHFFFAOYSA-N
XLogP-2.47
TPSA96.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 66170573) is 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCC(O)CO)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HYLZADJLOGWULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-12-7(4-11-5-8(15)6-14)3-9(16)13(2)10(12)17/h3,8,11,14-15H,4-6H2,1-2H3.
What are the key properties of 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 243.26 g/mol, XLogP of -2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 66170573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).