1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione

C14H23N3O2 — CID 28615157

IUPAC1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
SMILESCC1CCC(NCc2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H23N3O2/c1-10-4-6-12(7-5-10)15-8-11-9-16(2)14(19)17(3)13(11)18/h9-10,12,15H,4-8H2,1-3H3
InChIKeyBCEAJLGNQMHSGC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.75
Rot. Bonds3

About 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 28615157) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
PubChem CID28615157
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
SMILESCC1CCC(NCc2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H23N3O2/c1-10-4-6-12(7-5-10)15-8-11-9-16(2)14(19)17(3)13(11)18/h9-10,12,15H,4-8H2,1-3H3
InChIKeyBCEAJLGNQMHSGC-UHFFFAOYSA-N
XLogP0.75
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione (CID 28615157) is 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione is CC1CCC(NCc2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is BCEAJLGNQMHSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-4-6-12(7-5-10)15-8-11-9-16(2)14(19)17(3)13(11)18/h9-10,12,15H,4-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 28615157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).