N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide

C11H16FN3O4 — CID 57157482

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide
SMILESCOc1cc(OC)nc(NC(=O)C(C)C(F)CO)n1
InChIInChI=1S/C11H16FN3O4/c1-6(7(12)5-16)10(17)15-11-13-8(18-2)4-9(14-11)19-3/h4,6-7,16H,5H2,1-3H3,(H,13,14,15,17)
InChIKeyOPBWZJGKNAQELD-UHFFFAOYSA-N
MW273.26 g/mol
LogP0.40
Rot. Bonds6

About N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide

N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide (PubChem CID 57157482) has the molecular formula C11H16FN3O4 and a molecular weight of 273.26 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide
PubChem CID57157482
Molecular FormulaC11H16FN3O4
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide
SMILESCOc1cc(OC)nc(NC(=O)C(C)C(F)CO)n1
InChIInChI=1S/C11H16FN3O4/c1-6(7(12)5-16)10(17)15-11-13-8(18-2)4-9(14-11)19-3/h4,6-7,16H,5H2,1-3H3,(H,13,14,15,17)
InChIKeyOPBWZJGKNAQELD-UHFFFAOYSA-N
XLogP0.40
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
N-(4,6-dimethoxypyrimidin-2-yl)-2-phenylpropanamide
CID 71620621
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 113292972
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321
N-(4,6-dimethoxypyrimidin-2-yl)-2-hydroxy-2-methylpropanamide
CID 107626294
(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829628

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide (CID 57157482) is N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide is COc1cc(OC)nc(NC(=O)C(C)C(F)CO)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide?
The InChIKey is OPBWZJGKNAQELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4/c1-6(7(12)5-16)10(17)15-11-13-8(18-2)4-9(14-11)19-3/h4,6-7,16H,5H2,1-3H3,(H,13,14,15,17).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide?
N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide has a molecular weight of 273.26 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide is sourced from PubChem (CID 57157482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).