5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione

C13H23N3O2 — CID 172654057

IUPAC5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione
SMILESCCN(CC)c1c(C)n(CC)c(=O)n(CC)c1=O
InChIInChI=1S/C13H23N3O2/c1-6-14(7-2)11-10(5)15(8-3)13(18)16(9-4)12(11)17/h6-9H2,1-5H3
InChIKeyPHLAEIKFNDMOCJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.20
Rot. Bonds5

About 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione

5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione (PubChem CID 172654057) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione
PubChem CID172654057
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione
SMILESCCN(CC)c1c(C)n(CC)c(=O)n(CC)c1=O
InChIInChI=1S/C13H23N3O2/c1-6-14(7-2)11-10(5)15(8-3)13(18)16(9-4)12(11)17/h6-9H2,1-5H3
InChIKeyPHLAEIKFNDMOCJ-UHFFFAOYSA-N
XLogP1.20
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione (CID 172654057) is 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione is CCN(CC)c1c(C)n(CC)c(=O)n(CC)c1=O.
What is the InChIKey of 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione?
The InChIKey is PHLAEIKFNDMOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-14(7-2)11-10(5)15(8-3)13(18)16(9-4)12(11)17/h6-9H2,1-5H3.
What are the key properties of 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione?
5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1,3-diethyl-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 172654057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).