2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid

C13H21N3O3 — CID 112634398

IUPAC2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid
SMILESCCOc1cc(C)nc(N(CC(=O)O)C(C)CC)n1
InChIInChI=1S/C13H21N3O3/c1-5-10(4)16(8-12(17)18)13-14-9(3)7-11(15-13)19-6-2/h7,10H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyDEWPXKUKDIIIAN-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.87
Rot. Bonds7

About 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid

2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid (PubChem CID 112634398) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid
PubChem CID112634398
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid
SMILESCCOc1cc(C)nc(N(CC(=O)O)C(C)CC)n1
InChIInChI=1S/C13H21N3O3/c1-5-10(4)16(8-12(17)18)13-14-9(3)7-11(15-13)19-6-2/h7,10H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyDEWPXKUKDIIIAN-UHFFFAOYSA-N
XLogP1.87
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butan-2-yl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]acetic acid
CID 119955305
2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66331801
2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
CID 115973161
methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
CID 112635260
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106641392
3-[(4-ethoxypyrimidin-2-yl)-propan-2-ylamino]propanoic acid
CID 112635997
4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid
CID 112634556
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 112635403
2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 66332093

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid (CID 112634398) is 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid is CCOc1cc(C)nc(N(CC(=O)O)C(C)CC)n1.
What is the InChIKey of 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid?
The InChIKey is DEWPXKUKDIIIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-10(4)16(8-12(17)18)13-14-9(3)7-11(15-13)19-6-2/h7,10H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid?
2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 112634398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).