2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one

C16H21N3O3 — CID 137047507

IUPAC2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCCOc1ccc(Cc2c(C)nc(N)[nH]c2=O)c(OC)c1
InChIInChI=1S/C16H21N3O3/c1-4-7-22-12-6-5-11(14(9-12)21-3)8-13-10(2)18-16(17)19-15(13)20/h5-6,9H,4,7-8H2,1-3H3,(H3,17,18,19,20)
InChIKeyPJVOKXUMJFYMGJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.05
Rot. Bonds6

About 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one

2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137047507) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137047507
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCCOc1ccc(Cc2c(C)nc(N)[nH]c2=O)c(OC)c1
InChIInChI=1S/C16H21N3O3/c1-4-7-22-12-6-5-11(14(9-12)21-3)8-13-10(2)18-16(17)19-15(13)20/h5-6,9H,4,7-8H2,1-3H3,(H3,17,18,19,20)
InChIKeyPJVOKXUMJFYMGJ-UHFFFAOYSA-N
XLogP2.05
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one (CID 137047507) is 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one is CCCOc1ccc(Cc2c(C)nc(N)[nH]c2=O)c(OC)c1.
What is the InChIKey of 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PJVOKXUMJFYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-7-22-12-6-5-11(14(9-12)21-3)8-13-10(2)18-16(17)19-15(13)20/h5-6,9H,4,7-8H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 303.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-methoxy-4-propoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137047507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).