5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H23N3O3 — CID 115563750

IUPAC5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCOC(C)(C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-14(2)7-11(5-6-20-14)15-8-10-9-16(3)13(19)17(4)12(10)18/h9,11,15H,5-8H2,1-4H3
InChIKeySTGYKHYVWQHUNA-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.13
Rot. Bonds3

About 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 115563750) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID115563750
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCOC(C)(C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-14(2)7-11(5-6-20-14)15-8-10-9-16(3)13(19)17(4)12(10)18/h9,11,15H,5-8H2,1-4H3
InChIKeySTGYKHYVWQHUNA-UHFFFAOYSA-N
XLogP0.13
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione
CID 103887824
5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 79831786
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115563730
N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563698
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 102610386
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 96544646
N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563621
4-bromo-2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenol
CID 103846797
1,3-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione;hydrochloride
CID 154767022

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 115563750) is 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNC2CCOC(C)(C)C2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is STGYKHYVWQHUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2)7-11(5-6-20-14)15-8-10-9-16(3)13(19)17(4)12(10)18/h9,11,15H,5-8H2,1-4H3.
What are the key properties of 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 115563750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).