2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid

C16H26N4O2 — CID 122061674

IUPAC2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nccc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H26N4O2/c1-5-20(10-14(21)22)12-8-11(9-12)18-15-17-7-6-13(19-15)16(2,3)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,21,22)(H,17,18,19)
InChIKeyXVCJBBYDLJNOFI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.12
Rot. Bonds6

About 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061674) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061674
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nccc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H26N4O2/c1-5-20(10-14(21)22)12-8-11(9-12)18-15-17-7-6-13(19-15)16(2,3)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,21,22)(H,17,18,19)
InChIKeyXVCJBBYDLJNOFI-UHFFFAOYSA-N
XLogP2.12
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 136588992
1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 164637913
2-[Ethyl-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122062102
4-(azetidin-3-yl)-2-[(3S,5R)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine;2,2,2-trifluoroacetic acid
CID 167856327
4-(4-Ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 56862430
N',N'-dibutyl-N-(4-tert-butylpyrimidin-2-yl)ethane-1,2-diamine
CID 60025356
N-(4-tert-butylpyrimidin-2-yl)-N',N'-diethylbutane-1,4-diamine
CID 60025362
N-(4-tert-butylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 60025366
4-tert-butyl-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 60025371
N-[2-[(4-tert-butylpyrimidin-2-yl)amino]ethyl]acetamide
CID 68069691
2-[(5-Ethyl-4-propan-2-ylpyrimidin-2-yl)amino]acetic acid
CID 68250655
4-(Tert-butyl)pyrimidine-2-carboxylic acid
CID 69368387

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122061674) is 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(Nc2nccc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is XVCJBBYDLJNOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-20(10-14(21)22)12-8-11(9-12)18-15-17-7-6-13(19-15)16(2,3)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,21,22)(H,17,18,19).
What are the key properties of 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 306.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).