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

C6H8N4O2 — CID 23422079

IUPAC2-[(4-aminopyrimidin-5-yl)amino]acetic acid
SMILESNc1ncncc1NCC(=O)O
InChIInChI=1S/C6H8N4O2/c7-6-4(1-8-3-10-6)9-2-5(11)12/h1,3,9H,2H2,(H,11,12)(H2,7,8,10)
InChIKeyCSHYXPOXLYVKGH-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.44
Rot. Bonds3

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

2-[(4-aminopyrimidin-5-yl)amino]acetic acid (PubChem CID 23422079) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-[(4-aminopyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminopyrimidin-5-yl)amino]acetic acid
PubChem CID23422079
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name2-[(4-aminopyrimidin-5-yl)amino]acetic acid
SMILESNc1ncncc1NCC(=O)O
InChIInChI=1S/C6H8N4O2/c7-6-4(1-8-3-10-6)9-2-5(11)12/h1,3,9H,2H2,(H,11,12)(H2,7,8,10)
InChIKeyCSHYXPOXLYVKGH-UHFFFAOYSA-N
XLogP-0.44
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Hydroxypteridine
CID 590544
2-[(6-Amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid
CID 70683232
2-[[6-amino-5-[(Z)-N'-hydroxycarbamimidoyl]pyrazin-2-yl]amino]acetic acid
CID 136264091
Methyl 5-aminopyrimidine-2-carboxylate
CID 10654421
Methyl 5-aminopyrimidine-2-carboxylate hydrochloride
CID 72207940
3-[(Pyrimidin-5-yl)amino]propanoic acid
CID 82539654
5-(Dimethylamino)pyrimidine-2-carboxylic acid
CID 130139910
5-{[(Tert-butoxy)carbonyl]amino}pyrimidine-2-carboxylic acid
CID 131699612
N-(2-chloro-5-fluoro-4-pyrimidyl)glycine
CID 91690988
Pyrimidine, 5-amino-4-carboxymethylamino-
CID 23422082
Pyrimidine, 5-amino-2-chloro-4-ethoxycarbonylmethylamino-
CID 108134245
Pyrimidine, 5-amino-4-(1-carboxyethylidene)imino-
CID 129925706

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[(4-aminopyrimidin-5-yl)amino]acetic acid (CID 23422079) is 2-[(4-aminopyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-aminopyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-aminopyrimidin-5-yl)amino]acetic acid is Nc1ncncc1NCC(=O)O.
What is the InChIKey of 2-[(4-aminopyrimidin-5-yl)amino]acetic acid?
The InChIKey is CSHYXPOXLYVKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-6-4(1-8-3-10-6)9-2-5(11)12/h1,3,9H,2H2,(H,11,12)(H2,7,8,10).
What are the key properties of 2-[(4-aminopyrimidin-5-yl)amino]acetic acid?
2-[(4-aminopyrimidin-5-yl)amino]acetic acid has a molecular weight of 168.16 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 23422079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).