2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid

C11H15N3O2 — CID 126848240

IUPAC2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(CC2CC2)ncn1
InChIInChI=1S/C11H15N3O2/c1-14(6-11(15)16)10-5-9(12-7-13-10)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,15,16)
InChIKeyFRLGYYLDCBMBFA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.95
Rot. Bonds5

About 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid

2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid (PubChem CID 126848240) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
PubChem CID126848240
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(CC2CC2)ncn1
InChIInChI=1S/C11H15N3O2/c1-14(6-11(15)16)10-5-9(12-7-13-10)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,15,16)
InChIKeyFRLGYYLDCBMBFA-UHFFFAOYSA-N
XLogP0.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848396
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
CID 126849037
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585
N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 95841176
3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid
CID 61236046
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126848203
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
CID 99980296
N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 95841173
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
CID 91840000
4-[methyl-(6-propylpyrimidin-4-yl)amino]butanoic acid
CID 61241091

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid (CID 126848240) is 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid is CN(CC(=O)O)c1cc(CC2CC2)ncn1.
What is the InChIKey of 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The InChIKey is FRLGYYLDCBMBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(6-11(15)16)10-5-9(12-7-13-10)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid?
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 126848240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).