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

C12H20N4O3 — CID 136734037

IUPAC2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCc1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c1-4-9-13-10(7-11(17)14-9)16(8-12(18)19)6-5-15(2)3/h7H,4-6,8H2,1-3H3,(H,18,19)(H,13,14,17)
InChIKeyPDGAOSMQICIGRA-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.22
Rot. Bonds7

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

2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136734037) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136734037
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCc1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c1-4-9-13-10(7-11(17)14-9)16(8-12(18)19)6-5-15(2)3/h7H,4-6,8H2,1-3H3,(H,18,19)(H,13,14,17)
InChIKeyPDGAOSMQICIGRA-UHFFFAOYSA-N
XLogP-0.22
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959230
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
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-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734035
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036
N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136870167
N,N-dimethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136957471

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136734037) is 2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is CCc1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is PDGAOSMQICIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-9-13-10(7-11(17)14-9)16(8-12(18)19)6-5-15(2)3/h7H,4-6,8H2,1-3H3,(H,18,19)(H,13,14,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 268.32 g/mol, XLogP of -0.22, 7 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-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136734037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).