4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid

C8H11N3O4 — CID 171877191

IUPAC4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid
SMILESNc1ncc(C(O)C(O)CC(=O)O)cn1
InChIInChI=1S/C8H11N3O4/c9-8-10-2-4(3-11-8)7(15)5(12)1-6(13)14/h2-3,5,7,12,15H,1H2,(H,13,14)(H2,9,10,11)
InChIKeyIGAWJOHWVXNZGV-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.07
Rot. Bonds4

About 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid

4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid (PubChem CID 171877191) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid
PubChem CID171877191
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid
SMILESNc1ncc(C(O)C(O)CC(=O)O)cn1
InChIInChI=1S/C8H11N3O4/c9-8-10-2-4(3-11-8)7(15)5(12)1-6(13)14/h2-3,5,7,12,15H,1H2,(H,13,14)(H2,9,10,11)
InChIKeyIGAWJOHWVXNZGV-UHFFFAOYSA-N
XLogP-1.07
TPSA129.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171895107
4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877478
4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877758
S-[4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171875400
3,4-dihydroxy-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)butanoic acid
CID 171877833
4-(5-bromopyrimidin-2-yl)-3,4-dihydroxybutanoic acid
CID 171878730
4-(4-amino-3-bromophenyl)-3,4-dihydroxybutanoic acid
CID 171878770
4-[3-amino-5-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878329
4-[4-(2-aminoacetyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878164
4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid
CID 171877991
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
4-(4-amino-3-chloro-5-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877702

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid (CID 171877191) is 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid is Nc1ncc(C(O)C(O)CC(=O)O)cn1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid?
The InChIKey is IGAWJOHWVXNZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-8-10-2-4(3-11-8)7(15)5(12)1-6(13)14/h2-3,5,7,12,15H,1H2,(H,13,14)(H2,9,10,11).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid?
4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).