3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione

C16H27N3O2 — CID 3063686

IUPAC3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione
SMILESCCN(CC)c1c(C)n(C)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C16H27N3O2/c1-5-18(6-2)14-12(3)17(4)16(21)19(15(14)20)13-10-8-7-9-11-13/h13H,5-11H2,1-4H3
InChIKeyBWCCWHHYJFNKHN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.21
Rot. Bonds4

About 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione

3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 3063686) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione
PubChem CID3063686
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione
SMILESCCN(CC)c1c(C)n(C)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C16H27N3O2/c1-5-18(6-2)14-12(3)17(4)16(21)19(15(14)20)13-10-8-7-9-11-13/h13H,5-11H2,1-4H3
InChIKeyBWCCWHHYJFNKHN-UHFFFAOYSA-N
XLogP2.21
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione (CID 3063686) is 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione is CCN(CC)c1c(C)n(C)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is BWCCWHHYJFNKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-18(6-2)14-12(3)17(4)16(21)19(15(14)20)13-10-8-7-9-11-13/h13H,5-11H2,1-4H3.
What are the key properties of 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione?
3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione has a molecular weight of 293.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3063686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).