2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid

C11H16N4O2 — CID 84699425

IUPAC2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid
SMILESCN(C)c1nc(N)c(CC(=O)O)c(C2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-15(2)11-13-9(6-3-4-6)7(5-8(16)17)10(12)14-11/h6H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14)
InChIKeyIYBBUXWHRAKIIJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.63
Rot. Bonds4

About 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid

2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid (PubChem CID 84699425) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid
PubChem CID84699425
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid
SMILESCN(C)c1nc(N)c(CC(=O)O)c(C2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-15(2)11-13-9(6-3-4-6)7(5-8(16)17)10(12)14-11/h6H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14)
InChIKeyIYBBUXWHRAKIIJ-UHFFFAOYSA-N
XLogP0.63
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid (CID 84699425) is 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid is CN(C)c1nc(N)c(CC(=O)O)c(C2CC2)n1.
What is the InChIKey of 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid?
The InChIKey is IYBBUXWHRAKIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(2)11-13-9(6-3-4-6)7(5-8(16)17)10(12)14-11/h6H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14).
What are the key properties of 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid?
2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 84699425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).