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

C13H22N4O3 — CID 136734033

IUPAC2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O3/c1-9(2)13-14-10(7-11(18)15-13)17(8-12(19)20)6-5-16(3)4/h7,9H,5-6,8H2,1-4H3,(H,19,20)(H,14,15,18)
InChIKeyBEAWZWCJZQTGAD-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.35
Rot. Bonds7

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

2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136734033) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136734033
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O3/c1-9(2)13-14-10(7-11(18)15-13)17(8-12(19)20)6-5-16(3)4/h7,9H,5-6,8H2,1-4H3,(H,19,20)(H,14,15,18)
InChIKeyBEAWZWCJZQTGAD-UHFFFAOYSA-N
XLogP0.35
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713549
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-(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
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037
2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745654
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857368
N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136870167
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 136957617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (CID 136734033) is 2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is CC(C)c1nc(N(CCN(C)C)CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is BEAWZWCJZQTGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)13-14-10(7-11(18)15-13)17(8-12(19)20)6-5-16(3)4/h7,9H,5-6,8H2,1-4H3,(H,19,20)(H,14,15,18).
What are the key properties of 2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.35, 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-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136734033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).