2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid

C9H11N3O2 — CID 62696167

IUPAC2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid
SMILESO=C(O)C(Nc1ccncn1)C1CC1
InChIInChI=1S/C9H11N3O2/c13-9(14)8(6-1-2-6)12-7-3-4-10-5-11-7/h3-6,8H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyYMNWTZIDGHJNQV-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.75
Rot. Bonds4

About 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid

2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid (PubChem CID 62696167) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid
PubChem CID62696167
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid
SMILESO=C(O)C(Nc1ccncn1)C1CC1
InChIInChI=1S/C9H11N3O2/c13-9(14)8(6-1-2-6)12-7-3-4-10-5-11-7/h3-6,8H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyYMNWTZIDGHJNQV-UHFFFAOYSA-N
XLogP0.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid (CID 62696167) is 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid is O=C(O)C(Nc1ccncn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid?
The InChIKey is YMNWTZIDGHJNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)8(6-1-2-6)12-7-3-4-10-5-11-7/h3-6,8H,1-2H2,(H,13,14)(H,10,11,12).
What are the key properties of 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid?
2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid has a molecular weight of 193.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid is sourced from PubChem (CID 62696167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).