6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione

C13H22N4O3 — CID 65118752

IUPAC6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCC1CCC(O)(CNc2c(N)n(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H22N4O3/c1-8-3-5-13(20,6-4-8)7-15-9-10(14)17(2)12(19)16-11(9)18/h8,15,20H,3-7,14H2,1-2H3,(H,16,18,19)
InChIKeyTUUPZWUQQFFLKY-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.01
Rot. Bonds3

About 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione

6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 65118752) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione
PubChem CID65118752
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCC1CCC(O)(CNc2c(N)n(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H22N4O3/c1-8-3-5-13(20,6-4-8)7-15-9-10(14)17(2)12(19)16-11(9)18/h8,15,20H,3-7,14H2,1-2H3,(H,16,18,19)
InChIKeyTUUPZWUQQFFLKY-UHFFFAOYSA-N
XLogP0.01
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103847814
6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione
CID 55082346
4-methyl-1-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 65118223
6-amino-1-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103703856
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
CID 54933396
6-amino-5-(6-hydroxyhexylamino)-1-methylpyrimidine-2,4-dione
CID 103918166
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
CID 113224834
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503
6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione
CID 54906132
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
CID 113244340

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione (CID 65118752) is 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione is CC1CCC(O)(CNc2c(N)n(C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is TUUPZWUQQFFLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-8-3-5-13(20,6-4-8)7-15-9-10(14)17(2)12(19)16-11(9)18/h8,15,20H,3-7,14H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of 0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 65118752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).