2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid

C13H21N3O4 — CID 107554351

IUPAC2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCOCCOCCCCNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-10-9-11(12(17)18)16-13(15-10)14-5-3-4-6-20-8-7-19-2/h9H,3-8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyQRUGMWGXBFKYDQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.34
Rot. Bonds10

About 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid

2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554351) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554351
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCOCCOCCCCNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-10-9-11(12(17)18)16-13(15-10)14-5-3-4-6-20-8-7-19-2/h9H,3-8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyQRUGMWGXBFKYDQ-UHFFFAOYSA-N
XLogP1.34
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769
6-methyl-2-(3-methylsulfonylpropylamino)pyrimidine-4-carboxylic acid
CID 107553393
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323908
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
2-(3-methoxypropylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109324026
2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554424
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbothioamide
CID 107547891
2-(3-butoxypropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107548070
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323995

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid (CID 107554351) is 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid is COCCOCCCCNc1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is QRUGMWGXBFKYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-10-9-11(12(17)18)16-13(15-10)14-5-3-4-6-20-8-7-19-2/h9H,3-8H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid?
2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).