2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid

C9H10N4O2 — CID 107542879

IUPAC2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1nccc(C#N)n1
InChIInChI=1S/C9H10N4O2/c1-2-13(6-8(14)15)9-11-4-3-7(5-10)12-9/h3-4H,2,6H2,1H3,(H,14,15)
InChIKeyKUDPXRCPHUFEIN-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.26
Rot. Bonds4

About 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid

2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid (PubChem CID 107542879) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
PubChem CID107542879
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1nccc(C#N)n1
InChIInChI=1S/C9H10N4O2/c1-2-13(6-8(14)15)9-11-4-3-7(5-10)12-9/h3-4H,2,6H2,1H3,(H,14,15)
InChIKeyKUDPXRCPHUFEIN-UHFFFAOYSA-N
XLogP0.26
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
CID 107544133
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107544863
2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
CID 107544124
2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid?
The IUPAC name of 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid (CID 107542879) is 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid is CCN(CC(=O)O)c1nccc(C#N)n1.
What is the InChIKey of 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid?
The InChIKey is KUDPXRCPHUFEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-13(6-8(14)15)9-11-4-3-7(5-10)12-9/h3-4H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid?
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid has a molecular weight of 206.21 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid is sourced from PubChem (CID 107542879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).