N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide

C10H14FN3O3 — CID 123254457

IUPACN-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide
SMILESCOc1nc(F)nc(OC)c1NC(=O)C(C)C
InChIInChI=1S/C10H14FN3O3/c1-5(2)7(15)12-6-8(16-3)13-10(11)14-9(6)17-4/h5H,1-4H3,(H,12,15)
InChIKeyGSUPHYNLKCMYPE-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.23
Rot. Bonds4

About N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide

N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide (PubChem CID 123254457) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide
PubChem CID123254457
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC NameN-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide
SMILESCOc1nc(F)nc(OC)c1NC(=O)C(C)C
InChIInChI=1S/C10H14FN3O3/c1-5(2)7(15)12-6-8(16-3)13-10(11)14-9(6)17-4/h5H,1-4H3,(H,12,15)
InChIKeyGSUPHYNLKCMYPE-UHFFFAOYSA-N
XLogP1.23
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide
CID 122191183
N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide
CID 122191185
Dimethoxypyrimidine-2,5-diamine
CID 29919572
Trimethoxypyrimidin-5-amine
CID 14595821
2-Amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one
CID 71451068
2,4-dimethoxy-6-methyl-7(8H)-pteridinone
CID 822294
N-[[1-(5-amino-4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 57824801
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide
CID 122148107
4-methoxy-2,6-dimethyl-7(8H)-pteridinone
CID 23857055
N-(4,6-dimethoxypyrimidin-5-yl)chloroacetamide
CID 15585336
4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine
CID 20745773
4,6-Dimethoxy-2-methylpyrimidin-5-amine
CID 21239200

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide?
The IUPAC name of N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide (CID 123254457) is N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide is COc1nc(F)nc(OC)c1NC(=O)C(C)C.
What is the InChIKey of N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide?
The InChIKey is GSUPHYNLKCMYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-5(2)7(15)12-6-8(16-3)13-10(11)14-9(6)17-4/h5H,1-4H3,(H,12,15).
What are the key properties of N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide?
N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide has a molecular weight of 243.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide is sourced from PubChem (CID 123254457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).