5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride

C11H12ClN3O2 — CID 146290902

IUPAC5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride
SMILESCc1cccc(Oc2nc[nH]c(=O)c2N)c1.Cl
InChIInChI=1S/C11H11N3O2.ClH/c1-7-3-2-4-8(5-7)16-11-9(12)10(15)13-6-14-11;/h2-6H,12H2,1H3,(H,13,14,15);1H
InChIKeyDQHJUPRAWFIVMQ-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.87
Rot. Bonds2

About 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride

5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 146290902) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride
PubChem CID146290902
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride
SMILESCc1cccc(Oc2nc[nH]c(=O)c2N)c1.Cl
InChIInChI=1S/C11H11N3O2.ClH/c1-7-3-2-4-8(5-7)16-11-9(12)10(15)13-6-14-11;/h2-6H,12H2,1H3,(H,13,14,15);1H
InChIKeyDQHJUPRAWFIVMQ-UHFFFAOYSA-N
XLogP1.87
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride (CID 146290902) is 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride is Cc1cccc(Oc2nc[nH]c(=O)c2N)c1.Cl.
What is the InChIKey of 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is DQHJUPRAWFIVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2.ClH/c1-7-3-2-4-8(5-7)16-11-9(12)10(15)13-6-14-11;/h2-6H,12H2,1H3,(H,13,14,15);1H.
What are the key properties of 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride?
5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 253.69 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 146290902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).