2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid

C17H15N3O3 — CID 54851615

IUPAC2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(COc2ccc3ccccc3c2)c1C(=O)O
InChIInChI=1S/C17H15N3O3/c1-10-15(16(21)22)14(20-17(18)19-10)9-23-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyGEKXQIGNJLSAAW-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid

2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid (PubChem CID 54851615) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
PubChem CID54851615
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(COc2ccc3ccccc3c2)c1C(=O)O
InChIInChI=1S/C17H15N3O3/c1-10-15(16(21)22)14(20-17(18)19-10)9-23-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyGEKXQIGNJLSAAW-UHFFFAOYSA-N
XLogP2.80
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54854022
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
3,5-dimethyl-2-(naphthalen-2-yloxymethyl)pyridin-4-amine
CID 103183022
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850622
2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851565
2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853778

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid (CID 54851615) is 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid is Cc1nc(N)nc(COc2ccc3ccccc3c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid?
The InChIKey is GEKXQIGNJLSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-15(16(21)22)14(20-17(18)19-10)9-23-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3,(H,21,22)(H2,18,19,20).
What are the key properties of 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid?
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 54851615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).