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

C13H20N4O3 — CID 136734032

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O3/c1-16(2)5-6-17(8-12(19)20)10-7-11(18)15-13(14-10)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H,19,20)(H,14,15,18)
InChIKeyQNAYWJPUHYBRAY-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.10
Rot. Bonds7

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

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 136734032) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID136734032
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O3/c1-16(2)5-6-17(8-12(19)20)10-7-11(18)15-13(14-10)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H,19,20)(H,14,15,18)
InChIKeyQNAYWJPUHYBRAY-UHFFFAOYSA-N
XLogP0.10
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]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-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959231
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713549
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713573
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-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037
2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136857374
4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 136865953
2-cyclopropyl-4-[2-[ethyl(propyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136870179
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 136957617
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958335

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid (CID 136734032) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is QNAYWJPUHYBRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16(2)5-6-17(8-12(19)20)10-7-11(18)15-13(14-10)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H,19,20)(H,14,15,18).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 136734032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).