5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one

C10H10N4O3 — CID 114764582

IUPAC5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one
SMILESNc1c(O)cccc1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H10N4O3/c11-7-5(15)2-1-3-6(7)17-10-8(12)9(16)13-4-14-10/h1-4,15H,11-12H2,(H,13,14,16)
InChIKeyXYMYZUHOMAKQPN-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.43
Rot. Bonds2

About 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one

5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one (PubChem CID 114764582) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one
PubChem CID114764582
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one
SMILESNc1c(O)cccc1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H10N4O3/c11-7-5(15)2-1-3-6(7)17-10-8(12)9(16)13-4-14-10/h1-4,15H,11-12H2,(H,13,14,16)
InChIKeyXYMYZUHOMAKQPN-UHFFFAOYSA-N
XLogP0.43
TPSA127.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one (CID 114764582) is 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one is Nc1c(O)cccc1Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one?
The InChIKey is XYMYZUHOMAKQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-7-5(15)2-1-3-6(7)17-10-8(12)9(16)13-4-14-10/h1-4,15H,11-12H2,(H,13,14,16).
What are the key properties of 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one has a molecular weight of 234.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114764582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).