2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide

C12H20N4O3 — CID 3064443

IUPAC2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide
SMILESCc1c(NC(=O)C(C)N(C)C)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H20N4O3/c1-7-9(13-10(17)8(2)14(3)4)11(18)16(6)12(19)15(7)5/h8H,1-6H3,(H,13,17)
InChIKeyCEZKGZOBANTCBU-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.72
Rot. Bonds3

About 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide

2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide (PubChem CID 3064443) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide
PubChem CID3064443
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide
SMILESCc1c(NC(=O)C(C)N(C)C)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H20N4O3/c1-7-9(13-10(17)8(2)14(3)4)11(18)16(6)12(19)15(7)5/h8H,1-6H3,(H,13,17)
InChIKeyCEZKGZOBANTCBU-UHFFFAOYSA-N
XLogP-0.72
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide?
The IUPAC name of 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide (CID 3064443) is 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide?
The canonical SMILES for 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide is Cc1c(NC(=O)C(C)N(C)C)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide?
The InChIKey is CEZKGZOBANTCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-7-9(13-10(17)8(2)14(3)4)11(18)16(6)12(19)15(7)5/h8H,1-6H3,(H,13,17).
What are the key properties of 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide?
2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide has a molecular weight of 268.32 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide is sourced from PubChem (CID 3064443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).