6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H21N3O4 — CID 81130889

IUPAC6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC2(O)CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4/c1-15-10(7-11(17)16(2)12(15)18)8-14-9-13(19)3-5-20-6-4-13/h7,14,19H,3-6,8-9H2,1-2H3
InChIKeyVBCFGOZJQGQREP-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.28
Rot. Bonds4

About 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 81130889) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID81130889
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC2(O)CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4/c1-15-10(7-11(17)16(2)12(15)18)8-14-9-13(19)3-5-20-6-4-13/h7,14,19H,3-6,8-9H2,1-2H3
InChIKeyVBCFGOZJQGQREP-UHFFFAOYSA-N
XLogP-1.28
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 81130889) is 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCC2(O)CCOCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VBCFGOZJQGQREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-15-10(7-11(17)16(2)12(15)18)8-14-9-13(19)3-5-20-6-4-13/h7,14,19H,3-6,8-9H2,1-2H3.
What are the key properties of 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 81130889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).