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

C11H16N4O2 — CID 120965297

IUPAC2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(NCC2CC2)ncn1
InChIInChI=1S/C11H16N4O2/c1-15(6-11(16)17)10-4-9(13-7-14-10)12-5-8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,16,17)(H,12,13,14)
InChIKeyVLZTYBCJNBFQID-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.82
Rot. Bonds6

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

2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid (PubChem CID 120965297) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
PubChem CID120965297
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(NCC2CC2)ncn1
InChIInChI=1S/C11H16N4O2/c1-15(6-11(16)17)10-4-9(13-7-14-10)12-5-8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,16,17)(H,12,13,14)
InChIKeyVLZTYBCJNBFQID-UHFFFAOYSA-N
XLogP0.82
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid (CID 120965297) is 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid is CN(CC(=O)O)c1cc(NCC2CC2)ncn1.
What is the InChIKey of 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid?
The InChIKey is VLZTYBCJNBFQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(6-11(16)17)10-4-9(13-7-14-10)12-5-8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,16,17)(H,12,13,14).
What are the key properties of 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid?
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 120965297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).