2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid

C6H8N4O3 — CID 22326327

IUPAC2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid
SMILESNc1ccn(C(N)C(=O)O)c(=O)n1
InChIInChI=1S/C6H8N4O3/c7-3-1-2-10(6(13)9-3)4(8)5(11)12/h1-2,4H,8H2,(H,11,12)(H2,7,9,13)
InChIKeyCCNQOMOWCQSTSZ-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.63
Rot. Bonds2

About 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid

2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid (PubChem CID 22326327) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid
PubChem CID22326327
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid
SMILESNc1ccn(C(N)C(=O)O)c(=O)n1
InChIInChI=1S/C6H8N4O3/c7-3-1-2-10(6(13)9-3)4(8)5(11)12/h1-2,4H,8H2,(H,11,12)(H2,7,9,13)
InChIKeyCCNQOMOWCQSTSZ-UHFFFAOYSA-N
XLogP-1.63
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid (CID 22326327) is 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid is Nc1ccn(C(N)C(=O)O)c(=O)n1.
What is the InChIKey of 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid?
The InChIKey is CCNQOMOWCQSTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c7-3-1-2-10(6(13)9-3)4(8)5(11)12/h1-2,4H,8H2,(H,11,12)(H2,7,9,13).
What are the key properties of 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid?
2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid has a molecular weight of 184.16 g/mol, XLogP of -1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 22326327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).