2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one

C18H19N3O3 — CID 135441543

IUPAC2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCOC(OC)c1nc(N)[nH]c(=O)c1Cc1cccc2ccccc12
InChIInChI=1S/C18H19N3O3/c1-23-17(24-2)15-14(16(22)21-18(19)20-15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,17H,10H2,1-2H3,(H3,19,20,21,22)
InChIKeyJLEZTOOZZKSQAA-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one

2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135441543) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135441543
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCOC(OC)c1nc(N)[nH]c(=O)c1Cc1cccc2ccccc12
InChIInChI=1S/C18H19N3O3/c1-23-17(24-2)15-14(16(22)21-18(19)20-15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,17H,10H2,1-2H3,(H3,19,20,21,22)
InChIKeyJLEZTOOZZKSQAA-UHFFFAOYSA-N
XLogP2.39
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135712962
5-ethyl-1-(methoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
CID 509573
N-[5-[(4-aminophenyl)methyl]-4-(dimethoxymethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 135459399
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
5-ethyl-2-(methylsulfanylmethylsulfanyl)-4-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
CID 135513950
2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 99976497
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 136866367
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
CID 66760372
CID 66760372
2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 11380657

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one (CID 135441543) is 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one is COC(OC)c1nc(N)[nH]c(=O)c1Cc1cccc2ccccc12.
What is the InChIKey of 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is JLEZTOOZZKSQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-17(24-2)15-14(16(22)21-18(19)20-15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,17H,10H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one?
2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 325.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135441543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).