2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one

C12H11Cl2N3O — CID 135470141

IUPAC2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-6-7(11(18)17-12(15)16-6)5-8-9(13)3-2-4-10(8)14/h2-4H,5H2,1H3,(H3,15,16,17,18)
InChIKeyDIUKPTOWRXHNLH-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.56
Rot. Bonds2

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

2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135470141) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135470141
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-6-7(11(18)17-12(15)16-6)5-8-9(13)3-2-4-10(8)14/h2-4H,5H2,1H3,(H3,15,16,17,18)
InChIKeyDIUKPTOWRXHNLH-UHFFFAOYSA-N
XLogP2.56
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one (CID 135470141) is 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DIUKPTOWRXHNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-6-7(11(18)17-12(15)16-6)5-8-9(13)3-2-4-10(8)14/h2-4H,5H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 284.15 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135470141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).