5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate

C19H19F2N9O6 — CID 175084685

IUPAC5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(NCC(=O)Nc2c(N)nc(N)[nH]c2=O)cc1F.Nc1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C13H14FN7O4.C6H5FN2O2/c1-25-12(24)8-6(14)2-5(3-18-8)17-4-7(22)19-9-10(15)20-13(16)21-11(9)23;7-4-1-3(8)2-9-5(4)6(10)11/h2-3,17H,4H2,1H3,(H,19,22)(H5,15,16,20,21,23);1-2H,8H2,(H,10,11)
InChIKeyNIYMBBIGKJULRB-UHFFFAOYSA-N
MW507.41 g/mol
LogP-0.19
Rot. Bonds6

About 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate

5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate (PubChem CID 175084685) has the molecular formula C19H19F2N9O6 and a molecular weight of 507.41 g/mol. Its IUPAC name is 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate
PubChem CID175084685
Molecular FormulaC19H19F2N9O6
Molecular Weight507.41 g/mol
Exact Mass507.14
IUPAC Name5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(NCC(=O)Nc2c(N)nc(N)[nH]c2=O)cc1F.Nc1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C13H14FN7O4.C6H5FN2O2/c1-25-12(24)8-6(14)2-5(3-18-8)17-4-7(22)19-9-10(15)20-13(16)21-11(9)23;7-4-1-3(8)2-9-5(4)6(10)11/h2-3,17H,4H2,1H3,(H,19,22)(H5,15,16,20,21,23);1-2H,8H2,(H,10,11)
InChIKeyNIYMBBIGKJULRB-UHFFFAOYSA-N
XLogP-0.19
TPSA254.32 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500507.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate with MolForge

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Related Compounds

2-[[5-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)carbamoylamino]-3-fluoropyridine-2-carbonyl]amino]-3-methylbutanoic acid
CID 146197209
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
methyl 4-[[2-[[4-amino-5-[(3,4-difluorobenzoyl)amino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
CID 136507605
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
CID 18668118
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxyacetamide
CID 66758413
N-[4-amino-6-oxo-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-difluorobenzamide
CID 135705879
tert-butyl N-(5-fluoro-6-methoxy-3-pyridinyl)carbamate;5-fluoro-6-methoxypyridin-3-amine;5-fluoro-6-methoxypyridine-3-carboxylic acid
CID 159607764
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
2-[[5-[[2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylpyridine-2-carbonyl]amino]pentanedioic acid
CID 146197161
3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377368

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate?
The IUPAC name of 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate (CID 175084685) is 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate?
The canonical SMILES for 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate is COC(=O)c1ncc(NCC(=O)Nc2c(N)nc(N)[nH]c2=O)cc1F.Nc1cnc(C(=O)O)c(F)c1.
What is the InChIKey of 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate?
The InChIKey is NIYMBBIGKJULRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN7O4.C6H5FN2O2/c1-25-12(24)8-6(14)2-5(3-18-8)17-4-7(22)19-9-10(15)20-13(16)21-11(9)23;7-4-1-3(8)2-9-5(4)6(10)11/h2-3,17H,4H2,1H3,(H,19,22)(H5,15,16,20,21,23);1-2H,8H2,(H,10,11).
What are the key properties of 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate?
5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate has a molecular weight of 507.41 g/mol, XLogP of -0.19, 6 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoropyridine-2-carboxylic acid;methyl 5-[[2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]amino]-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 175084685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).