3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide

C7H11N5O3 — CID 136849661

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H11N5O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1,8H2,(H2,9,14)(H2,10,11,12,15)
InChIKeyQJYUKFJHIIJHEX-UHFFFAOYSA-N
MW213.20 g/mol
LogP-2.39
Rot. Bonds4

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 136849661) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID136849661
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H11N5O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1,8H2,(H2,9,14)(H2,10,11,12,15)
InChIKeyQJYUKFJHIIJHEX-UHFFFAOYSA-N
XLogP-2.39
TPSA147.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-2.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790778
5-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790789
5-Amino-6-((2-hydroxyethyl)amino)pyrimidin-4(3H)-one
CID 136271508
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849662
2-hydroxy-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849666
2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849667
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849668
5-amino-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973945
5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 136976241
5-amino-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977251
5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one
CID 136979112
5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136979637

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 136849661) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is QJYUKFJHIIJHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1,8H2,(H2,9,14)(H2,10,11,12,15).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 213.20 g/mol, XLogP of -2.39, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 136849661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).