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

C15H25N3O2 — CID 64744038

IUPAC6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CCC(NCc2cc(=O)n(C)c(=O)n2C)CC1C
InChIInChI=1S/C15H25N3O2/c1-10-5-6-12(7-11(10)2)16-9-13-8-14(19)18(4)15(20)17(13)3/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyZRZOXNQZNCNCPJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.00
Rot. Bonds3

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

6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 64744038) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID64744038
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CCC(NCc2cc(=O)n(C)c(=O)n2C)CC1C
InChIInChI=1S/C15H25N3O2/c1-10-5-6-12(7-11(10)2)16-9-13-8-14(19)18(4)15(20)17(13)3/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyZRZOXNQZNCNCPJ-UHFFFAOYSA-N
XLogP1.00
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 64744038) is 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CC1CCC(NCc2cc(=O)n(C)c(=O)n2C)CC1C.
What is the InChIKey of 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZRZOXNQZNCNCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-5-6-12(7-11(10)2)16-9-13-8-14(19)18(4)15(20)17(13)3/h8,10-12,16H,5-7,9H2,1-4H3.
What are the key properties of 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 64744038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).