2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid

C12H15N3O2 — CID 83841041

IUPAC2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1ccnc(C2CC2)n1)C1CC1
InChIInChI=1S/C12H15N3O2/c16-11(17)7-15(9-3-4-9)10-5-6-13-12(14-10)8-1-2-8/h5-6,8-9H,1-4,7H2,(H,16,17)
InChIKeySLKPTPPCEOTCJX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.41
Rot. Bonds5

About 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid

2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid (PubChem CID 83841041) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
PubChem CID83841041
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1ccnc(C2CC2)n1)C1CC1
InChIInChI=1S/C12H15N3O2/c16-11(17)7-15(9-3-4-9)10-5-6-13-12(14-10)8-1-2-8/h5-6,8-9H,1-4,7H2,(H,16,17)
InChIKeySLKPTPPCEOTCJX-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
2-[cyclopropyl-(6-methyl-2-pyridinyl)amino]acetic acid
CID 83833314
2-[cyclopropyl(pyrazin-2-yl)amino]acetic acid
CID 60838156
2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid
CID 82239338
2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
CID 114474311
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83830305
2-[cyclopropylmethyl-[3-[(2-cyclopropylpyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122061395
2-cyclopropyl-N-ethyl-N-methylpyrimidin-4-amine
CID 66911129
2-[cyclopropyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]acetic acid
CID 106536005
2-[cyclopentyl(pyrazin-2-yl)amino]acetic acid
CID 60838829
4-(2-cyclopropylpyrimidin-4-yl)butanoic acid
CID 83857577
2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid
CID 62131478

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid (CID 83841041) is 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid is O=C(O)CN(c1ccnc(C2CC2)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is SLKPTPPCEOTCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11(17)7-15(9-3-4-9)10-5-6-13-12(14-10)8-1-2-8/h5-6,8-9H,1-4,7H2,(H,16,17).
What are the key properties of 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid?
2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 83841041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).