2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid

C11H18N4O3 — CID 136734035

IUPAC2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-8-12-9(6-10(16)13-8)15(7-11(17)18)5-4-14(2)3/h6H,4-5,7H2,1-3H3,(H,17,18)(H,12,13,16)
InChIKeyTXCQUHCZANRJMM-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.47
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136734035) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136734035
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-8-12-9(6-10(16)13-8)15(7-11(17)18)5-4-14(2)3/h6H,4-5,7H2,1-3H3,(H,17,18)(H,12,13,16)
InChIKeyTXCQUHCZANRJMM-UHFFFAOYSA-N
XLogP-0.47
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methylamino)-ethylglycine-carbonylmethylene-cytosine
CID 4627777
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959233
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 137015876
2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid;azane
CID 69652105
2-[acetyl(2-aminoethyl)amino]acetic acid;2-amino-1H-pyrimidin-6-one
CID 177739719
N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136557611
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713547
2-[ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713551
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734032
2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734033
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136734035) is 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is Cc1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is TXCQUHCZANRJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8-12-9(6-10(16)13-8)15(7-11(17)18)5-4-14(2)3/h6H,4-5,7H2,1-3H3,(H,17,18)(H,12,13,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136734035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).