2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid

C11H13N3O2 — CID 146316775

IUPAC2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid
SMILESC=Cc1cc(C=C)nc(N(C)CC(=O)O)n1
InChIInChI=1S/C11H13N3O2/c1-4-8-6-9(5-2)13-11(12-8)14(3)7-10(15)16/h4-6H,1-2,7H2,3H3,(H,15,16)
InChIKeyDZVIIBQEGNHSPT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.28
Rot. Bonds5

About 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid

2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid (PubChem CID 146316775) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid
PubChem CID146316775
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid
SMILESC=Cc1cc(C=C)nc(N(C)CC(=O)O)n1
InChIInChI=1S/C11H13N3O2/c1-4-8-6-9(5-2)13-11(12-8)14(3)7-10(15)16/h4-6H,1-2,7H2,3H3,(H,15,16)
InChIKeyDZVIIBQEGNHSPT-UHFFFAOYSA-N
XLogP1.28
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 91926266
2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 122052125
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66332249
2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid
CID 62253678
2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66288193
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
CID 175474960
2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
CID 83834011
2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid
CID 83842954
2-[1H-indazol-5-yl(methyl)amino]acetic acid
CID 83819829
2-[methyl-(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]acetic acid
CID 83839010
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
CID 126849037

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid (CID 146316775) is 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid is C=Cc1cc(C=C)nc(N(C)CC(=O)O)n1.
What is the InChIKey of 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid?
The InChIKey is DZVIIBQEGNHSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-8-6-9(5-2)13-11(12-8)14(3)7-10(15)16/h4-6H,1-2,7H2,3H3,(H,15,16).
What are the key properties of 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid?
2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid is sourced from PubChem (CID 146316775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).