5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate

C11H14N3O3- — CID 6969751

IUPAC5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate
SMILESCc1cc(NC(=O)CCCC(=O)[O-])nc(C)n1
InChIInChI=1S/C11H15N3O3/c1-7-6-9(13-8(2)12-7)14-10(15)4-3-5-11(16)17/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,14,15)/p-1
InChIKeyIEOPNFTYACHXCN-UHFFFAOYSA-M
MW236.25 g/mol
LogP-0.05
Rot. Bonds5

About 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate

5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate (PubChem CID 6969751) has the molecular formula C11H14N3O3- and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Name5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate
PubChem CID6969751
Molecular FormulaC11H14N3O3-
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate
SMILESCc1cc(NC(=O)CCCC(=O)[O-])nc(C)n1
InChIInChI=1S/C11H15N3O3/c1-7-6-9(13-8(2)12-7)14-10(15)4-3-5-11(16)17/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,14,15)/p-1
InChIKeyIEOPNFTYACHXCN-UHFFFAOYSA-M
XLogP-0.05
TPSA95.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea
CID 3061666
N-(4,6-dimethyl-2-pyridinyl)hexanamide
CID 5075598
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide
CID 60600626
N-(4,6-dimethyl-2-pyridinyl)nonanamide
CID 4047413
5-(2-hydroxy-5-methylanilino)-5-oxopentanoate
CID 7162461
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-11-(1,3-dioxoisoindol-2-yl)undecanamide
CID 3336490
N-(4,6-dimethylpyrimidin-2-yl)hept-5-ynamide
CID 154505217
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427722
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate?
The IUPAC name of 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate (CID 6969751) is 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate.
What is the SMILES notation for 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate?
The canonical SMILES for 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate is Cc1cc(NC(=O)CCCC(=O)[O-])nc(C)n1.
What is the InChIKey of 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate?
The InChIKey is IEOPNFTYACHXCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N3O3/c1-7-6-9(13-8(2)12-7)14-10(15)4-3-5-11(16)17/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,14,15)/p-1.
What are the key properties of 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate?
5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate has a molecular weight of 236.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 6969751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).