sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate

C15H14N3NaO5 — CID 139615019

IUPACsodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate
SMILESCOc1cc(OC)nc(C(=O)Nc2ccc(C)cc2C(=O)[O-])n1.[Na+]
InChIInChI=1S/C15H15N3O5.Na/c1-8-4-5-10(9(6-8)15(20)21)16-14(19)13-17-11(22-2)7-12(18-13)23-3;/h4-7H,1-3H3,(H,16,19)(H,20,21);/q;+1/p-1
InChIKeyAKPWSPLUGYROBS-UHFFFAOYSA-M
MW339.28 g/mol
LogP-2.58
Rot. Bonds5

About sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate

sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate (PubChem CID 139615019) has the molecular formula C15H14N3NaO5 and a molecular weight of 339.28 g/mol. Its IUPAC name is sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate.

Molecular Properties

Compound Namesodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate
PubChem CID139615019
Molecular FormulaC15H14N3NaO5
Molecular Weight339.28 g/mol
Exact Mass339.08
IUPAC Namesodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate
SMILESCOc1cc(OC)nc(C(=O)Nc2ccc(C)cc2C(=O)[O-])n1.[Na+]
InChIInChI=1S/C15H15N3O5.Na/c1-8-4-5-10(9(6-8)15(20)21)16-14(19)13-17-11(22-2)7-12(18-13)23-3;/h4-7H,1-3H3,(H,16,19)(H,20,21);/q;+1/p-1
InChIKeyAKPWSPLUGYROBS-UHFFFAOYSA-M
XLogP-2.58
TPSA113.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 5-2.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylbenzoate
CID 4113234
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
2-acetamido-5-methoxybenzoate
CID 6928297
methyl 2-[(1-methoxyisoquinoline-3-carbonyl)amino]-5-methylbenzoate
CID 71936390
methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
CID 62794085
5-methyl-2-[[3-(4-nitrophenoxy)benzoyl]amino]benzoate
CID 7038362
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
CID 106685894
2-amino-N-(2-hydroxy-4-methoxyphenyl)-5-methylbenzamide
CID 102695337
dipotassium;4-methylphthalate
CID 140576906
4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane
CID 159487000

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate?
The IUPAC name of sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate (CID 139615019) is sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate.
What is the SMILES notation for sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate?
The canonical SMILES for sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate is COc1cc(OC)nc(C(=O)Nc2ccc(C)cc2C(=O)[O-])n1.[Na+].
What is the InChIKey of sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate?
The InChIKey is AKPWSPLUGYROBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N3O5.Na/c1-8-4-5-10(9(6-8)15(20)21)16-14(19)13-17-11(22-2)7-12(18-13)23-3;/h4-7H,1-3H3,(H,16,19)(H,20,21);/q;+1/p-1.
What are the key properties of sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate?
sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate has a molecular weight of 339.28 g/mol, XLogP of -2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate is sourced from PubChem (CID 139615019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).