2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid

C11H16N4O3 — CID 113387735

IUPAC2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid
SMILESCCNC(=O)CN(CC)c1ncc(C(=O)O)cn1
InChIInChI=1S/C11H16N4O3/c1-3-12-9(16)7-15(4-2)11-13-5-8(6-14-11)10(17)18/h5-6H,3-4,7H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyRRXXJKAYHJVOEY-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.14
Rot. Bonds6

About 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid

2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 113387735) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid
PubChem CID113387735
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid
SMILESCCNC(=O)CN(CC)c1ncc(C(=O)O)cn1
InChIInChI=1S/C11H16N4O3/c1-3-12-9(16)7-15(4-2)11-13-5-8(6-14-11)10(17)18/h5-6H,3-4,7H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyRRXXJKAYHJVOEY-UHFFFAOYSA-N
XLogP0.14
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)pyrimidine-5-carboxylic acid
CID 42281393
N-ethyl-2-[ethyl-(5-iodopyrimidin-2-yl)amino]acetamide
CID 104839933
5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 81439403
5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638828
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
CID 54980980
3-chloro-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 81152000
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79633316
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
CID 62858007
2-(diethylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252730
2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79072774
N-ethyl-2-[ethyl-[6-(1-hydroxyethyl)-3-pyridinyl]amino]acetamide
CID 83132139
2-(ethylaminomethyl)pyrimidine-5-carboxylic acid
CID 84657807

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid (CID 113387735) is 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid is CCNC(=O)CN(CC)c1ncc(C(=O)O)cn1.
What is the InChIKey of 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is RRXXJKAYHJVOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-12-9(16)7-15(4-2)11-13-5-8(6-14-11)10(17)18/h5-6H,3-4,7H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid?
2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 113387735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).