2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid

C18H30N4O2 — CID 122061797

IUPAC2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2cc(C(C)C)nc(C(C)C)n2)C1
InChIInChI=1S/C18H30N4O2/c1-6-22(10-17(23)24)14-7-13(8-14)19-16-9-15(11(2)3)20-18(21-16)12(4)5/h9,11-14H,6-8,10H2,1-5H3,(H,23,24)(H,19,20,21)
InChIKeyHZUDCAZRVZJCAJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.07
Rot. Bonds8

About 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061797) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061797
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2cc(C(C)C)nc(C(C)C)n2)C1
InChIInChI=1S/C18H30N4O2/c1-6-22(10-17(23)24)14-7-13(8-14)19-16-9-15(11(2)3)20-18(21-16)12(4)5/h9,11-14H,6-8,10H2,1-5H3,(H,23,24)(H,19,20,21)
InChIKeyHZUDCAZRVZJCAJ-UHFFFAOYSA-N
XLogP3.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]acetic acid
CID 122061711
2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061780
2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061757
2-[[3-[[2,4-di(propan-2-yl)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122075668
2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061674
2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid
CID 122061894
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
2-[ethyl-[3-(2-methyl-4-nitroanilino)cyclobutyl]amino]acetic acid
CID 122062077
2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061743
2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 137061337
2-[ethyl-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122062125
2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 129335580

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid (CID 122061797) is 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(Nc2cc(C(C)C)nc(C(C)C)n2)C1.
What is the InChIKey of 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is HZUDCAZRVZJCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-6-22(10-17(23)24)14-7-13(8-14)19-16-9-15(11(2)3)20-18(21-16)12(4)5/h9,11-14H,6-8,10H2,1-5H3,(H,23,24)(H,19,20,21).
What are the key properties of 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 334.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).