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

C10H15N3O3 — CID 136958335

IUPAC2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1nc(N(C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-6(2)10-11-7(4-8(14)12-10)13(3)5-9(15)16/h4,6H,5H2,1-3H3,(H,15,16)(H,11,12,14)
InChIKeyKHAOXKRQINHEQY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.41
Rot. Bonds4

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

2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958335) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958335
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1nc(N(C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-6(2)10-11-7(4-8(14)12-10)13(3)5-9(15)16/h4,6H,5H2,1-3H3,(H,15,16)(H,11,12,14)
InChIKeyKHAOXKRQINHEQY-UHFFFAOYSA-N
XLogP0.41
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-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-[4-(2-Methylpropanoylamino)-2-oxopyrimidin-1-yl]acetic acid
CID 85742307
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-(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
4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957982

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958335) is 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is CC(C)c1nc(N(C)CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is KHAOXKRQINHEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)10-11-7(4-8(14)12-10)13(3)5-9(15)16/h4,6H,5H2,1-3H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).