2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid

C11H15N3O2 — CID 96607277

IUPAC2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid
SMILESNc1cnc(CC(=O)O)nc1CC1CCC1
InChIInChI=1S/C11H15N3O2/c12-8-6-13-10(5-11(15)16)14-9(8)4-7-2-1-3-7/h6-7H,1-5,12H2,(H,15,16)
InChIKeyWJJLJJWSGYPHDV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.03
Rot. Bonds4

About 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid

2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid (PubChem CID 96607277) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid
PubChem CID96607277
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid
SMILESNc1cnc(CC(=O)O)nc1CC1CCC1
InChIInChI=1S/C11H15N3O2/c12-8-6-13-10(5-11(15)16)14-9(8)4-7-2-1-3-7/h6-7H,1-5,12H2,(H,15,16)
InChIKeyWJJLJJWSGYPHDV-UHFFFAOYSA-N
XLogP1.03
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid (CID 96607277) is 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid is Nc1cnc(CC(=O)O)nc1CC1CCC1.
What is the InChIKey of 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid?
The InChIKey is WJJLJJWSGYPHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-8-6-13-10(5-11(15)16)14-9(8)4-7-2-1-3-7/h6-7H,1-5,12H2,(H,15,16).
What are the key properties of 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid?
2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 96607277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).