1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione

C9H15N3O2 — CID 12034251

IUPAC1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCCn1cc(NC)c(=O)n(CC)c1=O
InChIInChI=1S/C9H15N3O2/c1-4-11-6-7(10-3)8(13)12(5-2)9(11)14/h6,10H,4-5H2,1-3H3
InChIKeyVKDLWDKOQLYRAT-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.09
Rot. Bonds3

About 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione

1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione (PubChem CID 12034251) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione
PubChem CID12034251
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCCn1cc(NC)c(=O)n(CC)c1=O
InChIInChI=1S/C9H15N3O2/c1-4-11-6-7(10-3)8(13)12(5-2)9(11)14/h6,10H,4-5H2,1-3H3
InChIKeyVKDLWDKOQLYRAT-UHFFFAOYSA-N
XLogP0.09
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione
CID 71396175
methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800107
5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 82891703
5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 63799404
1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione
CID 79787598
5-amino-1-ethyl-3-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 64553758
1-ethyl-5-nitro-3-propylpyrimidine-2,4-dione
CID 142683821
5-amino-3-[(E)-3-chloroprop-2-enyl]-1-ethylpyrimidine-2,4-dione
CID 107900569
5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione
CID 63799585
3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide
CID 63800797
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
CID 55239566
1,3,7-triethyl-8-(methylamino)purine-2,6-dione
CID 82464428

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione (CID 12034251) is 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione is CCn1cc(NC)c(=O)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione?
The InChIKey is VKDLWDKOQLYRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-11-6-7(10-3)8(13)12(5-2)9(11)14/h6,10H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione?
1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 12034251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).