2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid

C12H17N3O2 — CID 54979650

IUPAC2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1cc(N(CC(=O)O)C2CC2)ncn1
InChIInChI=1S/C12H17N3O2/c1-8(2)10-5-11(14-7-13-10)15(6-12(16)17)9-3-4-9/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyBAZDGQYNCHPEKX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.65
Rot. Bonds5

About 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid

2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid (PubChem CID 54979650) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
PubChem CID54979650
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1cc(N(CC(=O)O)C2CC2)ncn1
InChIInChI=1S/C12H17N3O2/c1-8(2)10-5-11(14-7-13-10)15(6-12(16)17)9-3-4-9/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyBAZDGQYNCHPEKX-UHFFFAOYSA-N
XLogP1.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid (CID 54979650) is 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid is CC(C)c1cc(N(CC(=O)O)C2CC2)ncn1.
What is the InChIKey of 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is BAZDGQYNCHPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)10-5-11(14-7-13-10)15(6-12(16)17)9-3-4-9/h5,7-9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 235.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 54979650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).