2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid

C15H22N4O2 — CID 63064159

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCc1cc(C)n2cc(CN(CC(=O)O)CC(C)C)nc2n1
InChIInChI=1S/C15H22N4O2/c1-10(2)6-18(9-14(20)21)7-13-8-19-12(4)5-11(3)16-15(19)17-13/h5,8,10H,6-7,9H2,1-4H3,(H,20,21)
InChIKeyYXCGUXNEKRSAJI-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.89
Rot. Bonds6

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63064159) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID63064159
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCc1cc(C)n2cc(CN(CC(=O)O)CC(C)C)nc2n1
InChIInChI=1S/C15H22N4O2/c1-10(2)6-18(9-14(20)21)7-13-8-19-12(4)5-11(3)16-15(19)17-13/h5,8,10H,6-7,9H2,1-4H3,(H,20,21)
InChIKeyYXCGUXNEKRSAJI-UHFFFAOYSA-N
XLogP1.89
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol
CID 23790947
3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile
CID 75496477
2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid
CID 107044919
2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid
CID 107461681
2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol
CID 99630819
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9465114
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
CID 2473900
2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441919
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064169
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-4-methylsulfanylbutan-2-amine
CID 75386771

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid (CID 63064159) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid is Cc1cc(C)n2cc(CN(CC(=O)O)CC(C)C)nc2n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is YXCGUXNEKRSAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)6-18(9-14(20)21)7-13-8-19-12(4)5-11(3)16-15(19)17-13/h5,8,10H,6-7,9H2,1-4H3,(H,20,21).
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 290.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).