4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide

C9H10F3N3O2 — CID 75496317

IUPAC4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide
SMILESCOc1cc(NC(=O)CCC(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O2/c1-17-8-4-6(13-5-14-8)15-7(16)2-3-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,15,16)
InChIKeyCQWAYZVWGMOOEB-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.77
Rot. Bonds4

About 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide

4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide (PubChem CID 75496317) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide
PubChem CID75496317
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide
SMILESCOc1cc(NC(=O)CCC(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O2/c1-17-8-4-6(13-5-14-8)15-7(16)2-3-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,15,16)
InChIKeyCQWAYZVWGMOOEB-UHFFFAOYSA-N
XLogP1.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethoxypyrimidin-4-yl)hept-5-ynamide
CID 3236649
1-(Cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600627
6-methoxy-N-methylpyrimidin-4-amine
CID 16044348
2,2,2-Trifluoroethyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
CID 3297897
1-Butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 75454038
4-amino-2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 136083822
2-(3,4,4-Trifluoro-1-oxo-3-butenyl)amino-4,6-dimethoxy-pyrimidine
CID 15335027
4-(2-Butynyloxy)-6-(2,2,2-trifluoroethylamino)pyrimidine
CID 22599819
4-Amino-6-(difluoromethoxy)pyrimidine
CID 22909955
4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358676
N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide
CID 54194358
N-butyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide
CID 71107097

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide (CID 75496317) is 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide is COc1cc(NC(=O)CCC(F)(F)F)ncn1.
What is the InChIKey of 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide?
The InChIKey is CQWAYZVWGMOOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-17-8-4-6(13-5-14-8)15-7(16)2-3-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,15,16).
What are the key properties of 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide?
4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide has a molecular weight of 249.19 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide is sourced from PubChem (CID 75496317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).