4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid

C14H20N4O2 — CID 60834273

IUPAC4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)Cc1cn2cccnc2n1
InChIInChI=1S/C14H20N4O2/c1-11(2)17(7-3-5-13(19)20)9-12-10-18-8-4-6-15-14(18)16-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,19,20)
InChIKeyDYESTDRQGUCGKW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds7

About 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid

4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid (PubChem CID 60834273) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid
PubChem CID60834273
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)Cc1cn2cccnc2n1
InChIInChI=1S/C14H20N4O2/c1-11(2)17(7-3-5-13(19)20)9-12-10-18-8-4-6-15-14(18)16-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,19,20)
InChIKeyDYESTDRQGUCGKW-UHFFFAOYSA-N
XLogP1.80
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid (CID 60834273) is 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)Cc1cn2cccnc2n1.
What is the InChIKey of 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid?
The InChIKey is DYESTDRQGUCGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11(2)17(7-3-5-13(19)20)9-12-10-18-8-4-6-15-14(18)16-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid?
4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 60834273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).