2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid

C7H10N4O2 — CID 91624096

IUPAC2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid
SMILESCc1cc(N)nc(NCC(=O)O)n1
InChIInChI=1S/C7H10N4O2/c1-4-2-5(8)11-7(10-4)9-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H3,8,9,10,11)
InChIKeyXJGMBOMGKNWYDH-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.14
Rot. Bonds3

About 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid

2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid (PubChem CID 91624096) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid
PubChem CID91624096
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid
SMILESCc1cc(N)nc(NCC(=O)O)n1
InChIInChI=1S/C7H10N4O2/c1-4-2-5(8)11-7(10-4)9-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H3,8,9,10,11)
InChIKeyXJGMBOMGKNWYDH-UHFFFAOYSA-N
XLogP-0.14
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid (CID 91624096) is 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid is Cc1cc(N)nc(NCC(=O)O)n1.
What is the InChIKey of 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid?
The InChIKey is XJGMBOMGKNWYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-4-2-5(8)11-7(10-4)9-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H3,8,9,10,11).
What are the key properties of 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid?
2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methylpyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 91624096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).