4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one

C15H19N3O2 — CID 94282421

IUPAC4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2c(N)nc(=O)[nH]c2C)cc1C(C)C
InChIInChI=1S/C15H19N3O2/c1-8(2)11-7-10(5-6-12(11)20-4)13-9(3)17-15(19)18-14(13)16/h5-8H,1-4H3,(H3,16,17,18,19)
InChIKeyDMVLUZAITNIQIV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.46
Rot. Bonds3

About 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one

4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 94282421) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID94282421
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2c(N)nc(=O)[nH]c2C)cc1C(C)C
InChIInChI=1S/C15H19N3O2/c1-8(2)11-7-10(5-6-12(11)20-4)13-9(3)17-15(19)18-14(13)16/h5-8H,1-4H3,(H3,16,17,18,19)
InChIKeyDMVLUZAITNIQIV-UHFFFAOYSA-N
XLogP2.46
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one (CID 94282421) is 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one is COc1ccc(-c2c(N)nc(=O)[nH]c2C)cc1C(C)C.
What is the InChIKey of 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is DMVLUZAITNIQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-8(2)11-7-10(5-6-12(11)20-4)13-9(3)17-15(19)18-14(13)16/h5-8H,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one?
4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 273.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 94282421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).