2-(pyrimidin-4-ylamino)acetic acid

C6H7N3O2 — CID 12588259

IUPAC2-(pyrimidin-4-ylamino)acetic acid
SMILESO=C(O)CNc1ccncn1
InChIInChI=1S/C6H7N3O2/c10-6(11)3-8-5-1-2-7-4-9-5/h1-2,4H,3H2,(H,10,11)(H,7,8,9)
InChIKeyOMBDPVMPZMSBMY-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.03
Rot. Bonds3

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

2-(pyrimidin-4-ylamino)acetic acid (PubChem CID 12588259) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-(pyrimidin-4-ylamino)acetic acid.

Molecular Properties

Compound Name2-(pyrimidin-4-ylamino)acetic acid
PubChem CID12588259
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2-(pyrimidin-4-ylamino)acetic acid
SMILESO=C(O)CNc1ccncn1
InChIInChI=1S/C6H7N3O2/c10-6(11)3-8-5-1-2-7-4-9-5/h1-2,4H,3H2,(H,10,11)(H,7,8,9)
InChIKeyOMBDPVMPZMSBMY-UHFFFAOYSA-N
XLogP-0.03
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-4-ylamino)acetic acid?
The IUPAC name of 2-(pyrimidin-4-ylamino)acetic acid (CID 12588259) is 2-(pyrimidin-4-ylamino)acetic acid.
What is the SMILES notation for 2-(pyrimidin-4-ylamino)acetic acid?
The canonical SMILES for 2-(pyrimidin-4-ylamino)acetic acid is O=C(O)CNc1ccncn1.
What is the InChIKey of 2-(pyrimidin-4-ylamino)acetic acid?
The InChIKey is OMBDPVMPZMSBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6(11)3-8-5-1-2-7-4-9-5/h1-2,4H,3H2,(H,10,11)(H,7,8,9).
What are the key properties of 2-(pyrimidin-4-ylamino)acetic acid?
2-(pyrimidin-4-ylamino)acetic acid has a molecular weight of 153.14 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-4-ylamino)acetic acid is sourced from PubChem (CID 12588259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).