6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane

C16H23N5O4 — CID 142856778

IUPAC6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane
SMILESCCC.CCNc1c(Nc2ncnc(C(=O)N(C)C)c2O)c(=O)c1=O
InChIInChI=1S/C13H15N5O4.C3H8/c1-4-14-6-7(10(20)9(6)19)17-12-11(21)8(15-5-16-12)13(22)18(2)3;1-3-2/h5,14,21H,4H2,1-3H3,(H,15,16,17);3H2,1-2H3
InChIKeyMINFJQNZLHJFFM-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.07
Rot. Bonds5

About 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane

6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane (PubChem CID 142856778) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane.

Molecular Properties

Compound Name6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane
PubChem CID142856778
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane
SMILESCCC.CCNc1c(Nc2ncnc(C(=O)N(C)C)c2O)c(=O)c1=O
InChIInChI=1S/C13H15N5O4.C3H8/c1-4-14-6-7(10(20)9(6)19)17-12-11(21)8(15-5-16-12)13(22)18(2)3;1-3-2/h5,14,21H,4H2,1-3H3,(H,15,16,17);3H2,1-2H3
InChIKeyMINFJQNZLHJFFM-UHFFFAOYSA-N
XLogP1.07
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane?
The IUPAC name of 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane (CID 142856778) is 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane.
What is the SMILES notation for 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane?
The canonical SMILES for 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane is CCC.CCNc1c(Nc2ncnc(C(=O)N(C)C)c2O)c(=O)c1=O.
What is the InChIKey of 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane?
The InChIKey is MINFJQNZLHJFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4.C3H8/c1-4-14-6-7(10(20)9(6)19)17-12-11(21)8(15-5-16-12)13(22)18(2)3;1-3-2/h5,14,21H,4H2,1-3H3,(H,15,16,17);3H2,1-2H3.
What are the key properties of 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane?
6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane has a molecular weight of 349.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide;propane is sourced from PubChem (CID 142856778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).