2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one

C11H10ClN3O2 — CID 135447017

IUPAC2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2/c1-6-9(10(16)15-11(13)14-6)17-8-4-2-7(12)3-5-8/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyUXUUOWNZNMSPRQ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.11
Rot. Bonds2

About 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one

2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135447017) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one
PubChem CID135447017
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2/c1-6-9(10(16)15-11(13)14-6)17-8-4-2-7(12)3-5-8/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyUXUUOWNZNMSPRQ-UHFFFAOYSA-N
XLogP2.11
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one (CID 135447017) is 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UXUUOWNZNMSPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-9(10(16)15-11(13)14-6)17-8-4-2-7(12)3-5-8/h2-5H,1H3,(H3,13,14,15,16).
What are the key properties of 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one?
2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 251.67 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135447017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).