2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide

C12H12FN5O3 — CID 107632020

IUPAC2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccnc(N)c2F)n1
InChIInChI=1S/C12H12FN5O3/c1-20-7-5-8(21-2)17-12(16-7)18-11(19)6-3-4-15-10(14)9(6)13/h3-5H,1-2H3,(H2,14,15)(H,16,17,18,19)
InChIKeyIXPAHOVRPMFWGM-UHFFFAOYSA-N
MW293.26 g/mol
LogP0.86
Rot. Bonds4

About 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide

2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 107632020) has the molecular formula C12H12FN5O3 and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
PubChem CID107632020
Molecular FormulaC12H12FN5O3
Molecular Weight293.26 g/mol
Exact Mass293.09
IUPAC Name2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccnc(N)c2F)n1
InChIInChI=1S/C12H12FN5O3/c1-20-7-5-8(21-2)17-12(16-7)18-11(19)6-3-4-15-10(14)9(6)13/h3-5H,1-2H3,(H2,14,15)(H,16,17,18,19)
InChIKeyIXPAHOVRPMFWGM-UHFFFAOYSA-N
XLogP0.86
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
CID 107605341
2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 105387673
3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide
CID 107625756
2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624336
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 105387348
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
2-amino-N-(2,6-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105384666
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
2-amino-3-fluoro-N-pyridin-2-ylpyridine-4-carboxamide
CID 105384358
2-amino-N-(4-ethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384537

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide (CID 107632020) is 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide is COc1cc(OC)nc(NC(=O)c2ccnc(N)c2F)n1.
What is the InChIKey of 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is IXPAHOVRPMFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O3/c1-20-7-5-8(21-2)17-12(16-7)18-11(19)6-3-4-15-10(14)9(6)13/h3-5H,1-2H3,(H2,14,15)(H,16,17,18,19).
What are the key properties of 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 293.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 107632020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).